| /builds/debichem-team/python-ase/ase/__init__.py |
(no function) |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/__main__.py |
(no function) |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/atom.py |
atomproperty |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/atom.py |
atomproperty.getter |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/atom.py |
atomproperty.setter |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/atom.py |
atomproperty.deleter |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/atom.py |
abcproperty |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/atom.py |
abcproperty.getter |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/atom.py |
abcproperty.setter |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/atom.py |
xyzproperty |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/atom.py |
xyzproperty.getter |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/atom.py |
xyzproperty.setter |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/atom.py |
Atom.__init__ |
17 |
1 |
0 |
94.12% |
| /builds/debichem-team/python-ase/ase/atom.py |
Atom.scaled_position |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/atom.py |
Atom.scaled_position |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/atom.py |
Atom.__repr__ |
11 |
2 |
0 |
81.82% |
| /builds/debichem-team/python-ase/ase/atom.py |
Atom.cut_reference_to_atoms |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/atom.py |
Atom.get_raw |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/atom.py |
Atom.get |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/atom.py |
Atom.set |
20 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/atom.py |
Atom.delete |
3 |
3 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/atom.py |
(no function) |
33 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms.__init__ |
85 |
2 |
0 |
97.65% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms.symbols |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms.symbols |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms.set_calculator |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms.get_calculator |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms.calc |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms.calc |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms.calc |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms.number_of_lattice_vectors |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms.set_constraint |
7 |
1 |
0 |
85.71% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms._get_constraints |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms._del_constraints |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms.get_number_of_degrees_of_freedom |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms.set_cell |
9 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms.set_celldisp |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms.get_celldisp |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms.get_cell |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms.get_cell_lengths_and_angles |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms.get_reciprocal_cell |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms.pbc |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms.pbc |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms.set_pbc |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms.get_pbc |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms.new_array |
16 |
1 |
0 |
93.75% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms.get_array |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms.set_array |
10 |
1 |
0 |
90.00% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms.has |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms.set_atomic_numbers |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms.get_atomic_numbers |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms.get_chemical_symbols |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms.set_chemical_symbols |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms.get_chemical_formula |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms.set_tags |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms.get_tags |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms.set_momenta |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms.set_velocities |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms.get_momenta |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms.set_masses |
13 |
2 |
0 |
84.62% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms.get_masses |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms.set_initial_magnetic_moments |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms.get_initial_magnetic_moments |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms.get_magnetic_moments |
3 |
1 |
0 |
66.67% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms.get_magnetic_moment |
3 |
1 |
0 |
66.67% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms.set_initial_charges |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms.get_initial_charges |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms.get_charges |
7 |
3 |
0 |
57.14% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms.set_positions |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms.get_positions |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms.get_potential_energy |
10 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms.get_properties |
3 |
1 |
0 |
66.67% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms.get_potential_energies |
3 |
1 |
0 |
66.67% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms.get_kinetic_energy |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms.get_velocities |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms.get_total_energy |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms.get_forces |
10 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms.get_stress |
16 |
2 |
0 |
87.50% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms.get_stresses |
12 |
3 |
0 |
75.00% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms.get_kinetic_stress |
12 |
1 |
0 |
91.67% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms.get_kinetic_stresses |
14 |
3 |
0 |
78.57% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms.get_dipole_moment |
3 |
1 |
0 |
66.67% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms.copy |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms.todict |
10 |
2 |
0 |
80.00% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms.fromdict |
14 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms.__len__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms.get_number_of_atoms |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms.get_global_number_of_atoms |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms.__repr__ |
27 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms.__add__ |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms.extend |
22 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms.__iadd__ |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms.append |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms.__iter__ |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms.__getitem__ |
27 |
1 |
0 |
96.30% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms.__delitem__ |
21 |
2 |
0 |
90.48% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms.pop |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms.__imul__ |
21 |
1 |
0 |
95.24% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms.repeat |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms.__mul__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms.translate |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms.center |
44 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms.get_center_of_mass |
9 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms.set_center_of_mass |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms.get_moments_of_inertia |
19 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms.get_angular_momentum |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms.rotate |
36 |
6 |
0 |
83.33% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms._centering_as_array |
10 |
4 |
0 |
60.00% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms.euler_rotate |
11 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms.get_dihedral |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms.get_dihedrals |
16 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms._masked_rotate |
12 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms.set_dihedral |
11 |
3 |
0 |
72.73% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms.rotate_dihedral |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms.get_angle |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms.get_angles |
14 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms.set_angle |
18 |
1 |
0 |
94.44% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms.rattle |
8 |
1 |
0 |
87.50% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms.get_distance |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms.get_distances |
15 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms.get_all_distances |
11 |
1 |
0 |
90.91% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms.set_distance |
24 |
3 |
0 |
87.50% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms.get_scaled_positions |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms.set_scaled_positions |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms.wrap |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms.get_temperature |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms.__eq__ |
5 |
1 |
0 |
80.00% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms.__ne__ |
4 |
1 |
0 |
75.00% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms.get_volume |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms._get_positions |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms._set_positions |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms._get_atomic_numbers |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms.cell |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms.cell |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms.write |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms.iterimages |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms.__ase_optimizable__ |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/atoms.py |
Atoms.edit |
5 |
5 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/atoms.py |
string2vector |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/atoms.py |
default |
14 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/atoms.py |
(no function) |
153 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/autoneb.py |
AutoNEB.__init__ |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/autoneb.py |
(no function) |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/build/__init__.py |
(no function) |
12 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/build/attach.py |
random_unit_vector |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/build/attach.py |
nearest |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/build/attach.py |
attach |
18 |
1 |
0 |
94.44% |
| /builds/debichem-team/python-ase/ase/build/attach.py |
attach_randomly |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/build/attach.py |
attach_randomly_and_broadcast |
5 |
5 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/build/attach.py |
(no function) |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/build/bulk.py |
incompatible_cell |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/build/bulk.py |
bulk |
77 |
9 |
0 |
88.31% |
| /builds/debichem-team/python-ase/ase/build/bulk.py |
_build_rhl |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/build/bulk.py |
_orthorhombic_bulk |
33 |
8 |
0 |
75.76% |
| /builds/debichem-team/python-ase/ase/build/bulk.py |
_cubic_bulk |
29 |
1 |
0 |
96.55% |
| /builds/debichem-team/python-ase/ase/build/bulk.py |
_primitive_bulk |
44 |
1 |
0 |
97.73% |
| /builds/debichem-team/python-ase/ase/build/bulk.py |
(no function) |
12 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/build/connected.py |
connected_atoms |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/build/connected.py |
connected_indices |
17 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/build/connected.py |
separate |
9 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/build/connected.py |
split_bond |
11 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/build/connected.py |
(no function) |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/build/general_surface.py |
surface |
29 |
8 |
0 |
72.41% |
| /builds/debichem-team/python-ase/ase/build/general_surface.py |
build |
18 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/build/general_surface.py |
ext_gcd |
6 |
2 |
0 |
66.67% |
| /builds/debichem-team/python-ase/ase/build/general_surface.py |
(no function) |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/build/molecule.py |
molecule |
9 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/build/molecule.py |
(no function) |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/build/niggli.py |
cellvector_products |
9 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/build/niggli.py |
_pad_nonpbc |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/build/niggli.py |
niggli_reduce_cell |
18 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/build/niggli.py |
lmn_to_ijk |
16 |
1 |
0 |
93.75% |
| /builds/debichem-team/python-ase/ase/build/niggli.py |
_niggli_reduce |
78 |
1 |
0 |
98.72% |
| /builds/debichem-team/python-ase/ase/build/niggli.py |
_niggli_reduce.lt |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/build/niggli.py |
_niggli_reduce.gt |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/build/niggli.py |
_niggli_reduce.eq |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/build/niggli.py |
(no function) |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/build/ribbon.py |
graphene_nanoribbon |
76 |
29 |
0 |
61.84% |
| /builds/debichem-team/python-ase/ase/build/ribbon.py |
(no function) |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/build/root.py |
hcp0001_root |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/build/root.py |
fcc111_root |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/build/root.py |
bcc111_root |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/build/root.py |
point_in_cell_2d |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/build/root.py |
point_in_cell_2d.tri_area |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/build/root.py |
_root_cell_normalization |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/build/root.py |
_root_surface_analysis |
10 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/build/root.py |
root_surface_analysis |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/build/root.py |
root_surface |
20 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/build/root.py |
(no function) |
10 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/build/rotate.py |
rotation_matrix_from_points |
11 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/build/rotate.py |
quaternion_to_matrix |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/build/rotate.py |
minimize_rotation_and_translation |
13 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/build/rotate.py |
(no function) |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/build/supercells.py |
get_deviation_from_optimal_cell_shape |
13 |
2 |
0 |
84.62% |
| /builds/debichem-team/python-ase/ase/build/supercells.py |
find_optimal_cell_shape |
48 |
18 |
0 |
62.50% |
| /builds/debichem-team/python-ase/ase/build/supercells.py |
make_supercell |
28 |
3 |
0 |
89.29% |
| /builds/debichem-team/python-ase/ase/build/supercells.py |
lattice_points_in_supercell |
13 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/build/supercells.py |
clean_matrix |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/build/supercells.py |
(no function) |
9 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/build/surface.py |
fcc100 |
3 |
1 |
0 |
66.67% |
| /builds/debichem-team/python-ase/ase/build/surface.py |
fcc110 |
3 |
1 |
0 |
66.67% |
| /builds/debichem-team/python-ase/ase/build/surface.py |
bcc100 |
3 |
1 |
0 |
66.67% |
| /builds/debichem-team/python-ase/ase/build/surface.py |
bcc110 |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/build/surface.py |
bcc111 |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/build/surface.py |
fcc111 |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/build/surface.py |
hcp0001 |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/build/surface.py |
hcp10m10 |
3 |
1 |
0 |
66.67% |
| /builds/debichem-team/python-ase/ase/build/surface.py |
diamond100 |
3 |
1 |
0 |
66.67% |
| /builds/debichem-team/python-ase/ase/build/surface.py |
diamond111 |
3 |
1 |
0 |
66.67% |
| /builds/debichem-team/python-ase/ase/build/surface.py |
add_adsorbate |
30 |
4 |
0 |
86.67% |
| /builds/debichem-team/python-ase/ase/build/surface.py |
add_vacuum |
7 |
7 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/build/surface.py |
create_tags |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/build/surface.py |
_surface |
108 |
13 |
0 |
87.96% |
| /builds/debichem-team/python-ase/ase/build/surface.py |
fcc211 |
24 |
7 |
0 |
70.83% |
| /builds/debichem-team/python-ase/ase/build/surface.py |
mx2 |
12 |
1 |
0 |
91.67% |
| /builds/debichem-team/python-ase/ase/build/surface.py |
graphene |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/build/surface.py |
_all_surface_functions |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/build/surface.py |
(no function) |
25 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/build/surfaces_with_termination.py |
surfaces_with_termination |
34 |
1 |
0 |
97.06% |
| /builds/debichem-team/python-ase/ase/build/surfaces_with_termination.py |
translate_lattice |
39 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/build/surfaces_with_termination.py |
(no function) |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/build/tools.py |
cut |
60 |
6 |
0 |
90.00% |
| /builds/debichem-team/python-ase/ase/build/tools.py |
stack |
51 |
7 |
0 |
86.27% |
| /builds/debichem-team/python-ase/ase/build/tools.py |
stack.mindist |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/build/tools.py |
stack.func |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/build/tools.py |
rotation_matrix |
15 |
15 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/build/tools.py |
rotate |
6 |
6 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/build/tools.py |
minimize_tilt_ij |
16 |
16 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/build/tools.py |
minimize_tilt_ij.volume |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/build/tools.py |
minimize_tilt |
5 |
5 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/build/tools.py |
update_cell_and_positions |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/build/tools.py |
niggli_reduce |
18 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/build/tools.py |
reduce_lattice |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/build/tools.py |
sort |
6 |
1 |
0 |
83.33% |
| /builds/debichem-team/python-ase/ase/build/tools.py |
(no function) |
13 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/build/tube.py |
nanotube |
115 |
29 |
0 |
74.78% |
| /builds/debichem-team/python-ase/ase/build/tube.py |
(no function) |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/__init__.py |
(no function) |
0 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/abc.py |
GetPropertiesMixin.get_property |
0 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/abc.py |
GetPropertiesMixin.get_potential_energy |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/abc.py |
GetPropertiesMixin.get_potential_energies |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/abc.py |
GetPropertiesMixin.get_forces |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/abc.py |
GetPropertiesMixin.get_stress |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/abc.py |
GetPropertiesMixin.get_stresses |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/abc.py |
GetPropertiesMixin.get_dipole_moment |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/abc.py |
GetPropertiesMixin.get_charges |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/abc.py |
GetPropertiesMixin.get_magnetic_moment |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/abc.py |
GetPropertiesMixin.get_magnetic_moments |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/abc.py |
GetOutputsMixin._outputmixin_get_results |
0 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/abc.py |
GetOutputsMixin._get |
6 |
2 |
0 |
66.67% |
| /builds/debichem-team/python-ase/ase/calculators/abc.py |
GetOutputsMixin.get_fermi_level |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/abc.py |
GetOutputsMixin.get_ibz_k_points |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/abc.py |
GetOutputsMixin.get_k_point_weights |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/abc.py |
GetOutputsMixin.get_eigenvalues |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/abc.py |
GetOutputsMixin._eigshape |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/abc.py |
GetOutputsMixin.get_occupation_numbers |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/abc.py |
GetOutputsMixin.get_number_of_bands |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/abc.py |
GetOutputsMixin.get_number_of_spins |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/abc.py |
GetOutputsMixin.get_spin_polarized |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/abc.py |
(no function) |
27 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/abinit.py |
AbinitProfile.__init__ |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/abinit.py |
AbinitProfile.version |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/abinit.py |
AbinitProfile.get_calculator_command |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/abinit.py |
AbinitProfile.socketio_argv_unix |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/abinit.py |
AbinitTemplate.__init__ |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/abinit.py |
AbinitTemplate.execute |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/abinit.py |
AbinitTemplate.write_input |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/abinit.py |
AbinitTemplate.read_results |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/abinit.py |
AbinitTemplate.load_profile |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/abinit.py |
AbinitTemplate.socketio_argv |
4 |
1 |
0 |
75.00% |
| /builds/debichem-team/python-ase/ase/calculators/abinit.py |
AbinitTemplate.socketio_parameters |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/abinit.py |
Abinit.__init__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/abinit.py |
(no function) |
21 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/acemolecule.py |
ACE.__init__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/acemolecule.py |
ACE.set |
21 |
10 |
0 |
52.38% |
| /builds/debichem-team/python-ase/ase/calculators/acemolecule.py |
ACE.read |
11 |
11 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/acemolecule.py |
ACE.write_input |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/acemolecule.py |
ACE.prepare_input |
6 |
1 |
0 |
83.33% |
| /builds/debichem-team/python-ase/ase/calculators/acemolecule.py |
ACE.read_results |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/acemolecule.py |
ACE.write_acemolecule_section |
10 |
2 |
0 |
80.00% |
| /builds/debichem-team/python-ase/ase/calculators/acemolecule.py |
ACE.write_acemolecule_input |
9 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/acemolecule.py |
update_parameter |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/acemolecule.py |
(no function) |
23 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/acn.py |
combine_lj_lorenz_berthelot |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/acn.py |
ACN.__init__ |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/acn.py |
ACN.calculate |
60 |
4 |
0 |
93.33% |
| /builds/debichem-team/python-ase/ase/calculators/acn.py |
ACN.redistribute_forces |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/acn.py |
ACN.get_molcoms |
4 |
4 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/acn.py |
ACN.cutoff |
10 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/acn.py |
ACN.embed |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/acn.py |
ACN.check_state |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/acn.py |
ACN.add_virtual_sites |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/acn.py |
ACN.get_virtual_charges |
11 |
2 |
0 |
81.82% |
| /builds/debichem-team/python-ase/ase/calculators/acn.py |
PointChargePotential.__init__ |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/acn.py |
PointChargePotential.set_positions |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/acn.py |
PointChargePotential.calculate |
13 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/acn.py |
PointChargePotential.get_forces |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/acn.py |
(no function) |
39 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/aims.py |
get_aims_version |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/aims.py |
AimsProfile.__init__ |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/aims.py |
AimsProfile.get_calculator_command |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/aims.py |
AimsProfile.version |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/aims.py |
AimsTemplate.__init__ |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/aims.py |
AimsTemplate.update_parameters |
13 |
13 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/aims.py |
AimsTemplate.write_input |
23 |
23 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/aims.py |
AimsTemplate.execute |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/aims.py |
AimsTemplate.read_results |
3 |
3 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/aims.py |
AimsTemplate.load_profile |
1 |
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0 |
100.00% |
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AimsTemplate.socketio_argv |
1 |
1 |
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0.00% |
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AimsTemplate.socketio_parameters |
4 |
4 |
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Aims.__init__ |
1 |
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AimsCube.__init__ |
5 |
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100.00% |
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AimsCube.ncubes |
1 |
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AimsCube.move_to_base_name |
18 |
18 |
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AimsCube.add_plot |
1 |
1 |
0 |
0.00% |
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AimsCube.write |
13 |
2 |
0 |
84.62% |
| /builds/debichem-team/python-ase/ase/calculators/aims.py |
(no function) |
29 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/amber.py |
Amber.__init__ |
12 |
0 |
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100.00% |
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Amber._legacy_default_command |
4 |
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75.00% |
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Amber.write_input |
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Amber.read_results |
2 |
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Amber.write_coordinates |
1 |
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100.00% |
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Amber.read_coordinates |
5 |
5 |
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| /builds/debichem-team/python-ase/ase/calculators/amber.py |
Amber.read_energy |
9 |
9 |
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0.00% |
| /builds/debichem-team/python-ase/ase/calculators/amber.py |
Amber.read_forces |
5 |
5 |
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0.00% |
| /builds/debichem-team/python-ase/ase/calculators/amber.py |
Amber.set_charges |
9 |
9 |
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0.00% |
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Amber.get_virtual_charges |
12 |
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| /builds/debichem-team/python-ase/ase/calculators/amber.py |
Amber.add_virtual_sites |
1 |
1 |
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0.00% |
| /builds/debichem-team/python-ase/ase/calculators/amber.py |
Amber.redistribute_forces |
1 |
1 |
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| /builds/debichem-team/python-ase/ase/calculators/amber.py |
map |
15 |
15 |
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| /builds/debichem-team/python-ase/ase/calculators/amber.py |
SANDER.__init__ |
7 |
7 |
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| /builds/debichem-team/python-ase/ase/calculators/amber.py |
SANDER.calculate |
28 |
28 |
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0.00% |
| /builds/debichem-team/python-ase/ase/calculators/amber.py |
(no function) |
32 |
1 |
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96.88% |
| /builds/debichem-team/python-ase/ase/calculators/bond_polarizability.py |
LippincottStuttman.__call__ |
10 |
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100.00% |
| /builds/debichem-team/python-ase/ase/calculators/bond_polarizability.py |
Linearized.__init__ |
1 |
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100.00% |
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Linearized.__call__ |
6 |
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100.00% |
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BondPolarizability.__init__ |
1 |
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BondPolarizability.__call__ |
19 |
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100.00% |
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(no function) |
16 |
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compare_atoms |
18 |
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100.00% |
| /builds/debichem-team/python-ase/ase/calculators/calculator.py |
register_calculator_class |
4 |
4 |
0 |
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| /builds/debichem-team/python-ase/ase/calculators/calculator.py |
get_calculator_class |
18 |
5 |
0 |
72.22% |
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equal |
23 |
6 |
0 |
73.91% |
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kptdensity2monkhorstpack |
10 |
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100.00% |
| /builds/debichem-team/python-ase/ase/calculators/calculator.py |
kpts2mp |
5 |
2 |
0 |
60.00% |
| /builds/debichem-team/python-ase/ase/calculators/calculator.py |
kpts2sizeandoffsets |
23 |
2 |
0 |
91.30% |
| /builds/debichem-team/python-ase/ase/calculators/calculator.py |
KPoints.__init__ |
3 |
1 |
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66.67% |
| /builds/debichem-team/python-ase/ase/calculators/calculator.py |
KPoints.todict |
1 |
1 |
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0.00% |
| /builds/debichem-team/python-ase/ase/calculators/calculator.py |
kpts2kpts |
16 |
2 |
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87.50% |
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kpts2ndarray |
1 |
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100.00% |
| /builds/debichem-team/python-ase/ase/calculators/calculator.py |
EigenvalOccupationMixin.eigenvalues |
1 |
1 |
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| /builds/debichem-team/python-ase/ase/calculators/calculator.py |
EigenvalOccupationMixin.occupations |
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1 |
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| /builds/debichem-team/python-ase/ase/calculators/calculator.py |
EigenvalOccupationMixin._propwrapper |
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Parameters.__getattr__ |
3 |
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100.00% |
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Parameters.__setattr__ |
1 |
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Parameters.read |
16 |
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Parameters.tostring |
2 |
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Parameters.write |
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100.00% |
| /builds/debichem-team/python-ase/ase/calculators/calculator.py |
BaseCalculator.__init__ |
6 |
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100.00% |
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BaseCalculator.calculate_properties |
9 |
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77.78% |
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BaseCalculator.calculate |
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BaseCalculator.check_state |
3 |
1 |
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66.67% |
| /builds/debichem-team/python-ase/ase/calculators/calculator.py |
BaseCalculator.get_property |
21 |
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0 |
100.00% |
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BaseCalculator.calculation_required |
8 |
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BaseCalculator.export_properties |
1 |
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BaseCalculator._get_name |
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BaseCalculator.name |
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Calculator.__init__ |
35 |
9 |
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74.29% |
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Calculator.get_default_parameters |
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100.00% |
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Calculator.todict |
11 |
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90.91% |
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Calculator.reset |
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100.00% |
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Calculator.read |
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100.00% |
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Calculator.get_atoms |
5 |
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80.00% |
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Calculator.read_atoms |
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100.00% |
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Calculator.set |
14 |
4 |
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71.43% |
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Calculator.check_state |
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100.00% |
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Calculator.calculate |
8 |
3 |
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62.50% |
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Calculator.calculate_numerical_forces |
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Calculator.calculate_numerical_stress |
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2 |
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Calculator._deprecated_get_spin_polarized |
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OldShellProfile.__init__ |
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OldShellProfile.execute |
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_validate_command |
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StandardProfile.__post_init__ |
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StandardProfile.execute |
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33.33% |
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StandardProfile.execute_nonblocking |
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StandardProfile._split_command |
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StandardProfile._call |
10 |
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StandardProfile._call._maybe_open |
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FileIOCalculator.ruleset |
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FileIOCalculator.__init__ |
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FileIOCalculator.command |
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FileIOCalculator.command |
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FileIOCalculator.load_argv_profile |
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3 |
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FileIOCalculator._initialize_profile |
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90.00% |
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FileIOCalculator.calculate |
4 |
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FileIOCalculator.execute |
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0 |
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FileIOCalculator.write_input |
3 |
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66.67% |
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FileIOCalculator.read_results |
0 |
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| /builds/debichem-team/python-ase/ase/calculators/calculator.py |
(no function) |
147 |
0 |
0 |
100.00% |
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_self_getter |
2 |
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100.00% |
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_self_getter.decor_getf |
3 |
3 |
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0.00% |
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Castep.__init__ |
76 |
17 |
0 |
77.63% |
| /builds/debichem-team/python-ase/ase/calculators/castep.py |
Castep.set_atoms |
1 |
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0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/castep.py |
Castep.get_atoms |
5 |
5 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/castep.py |
Castep._get_name |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/castep.py |
Castep.band_structure |
9 |
9 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/castep.py |
Castep.set_bandpath |
7 |
2 |
0 |
71.43% |
| /builds/debichem-team/python-ase/ase/calculators/castep.py |
Castep.set_bandpath.clear_bs_keywords |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/castep.py |
Castep.set_kpts |
35 |
7 |
0 |
80.00% |
| /builds/debichem-team/python-ase/ase/calculators/castep.py |
Castep.set_kpts.clear_mp_keywords |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/castep.py |
Castep.todict |
4 |
4 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/castep.py |
Castep.check_state |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/castep.py |
Castep.read |
28 |
28 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/castep.py |
Castep.get_hirsh_volrat |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/castep.py |
Castep.get_spins |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/castep.py |
Castep.get_mulliken_charges |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/castep.py |
Castep.get_hirshfeld_charges |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/castep.py |
Castep.get_total_time |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/castep.py |
Castep.get_peak_memory |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/castep.py |
Castep.set_label |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/castep.py |
Castep.set_pspot |
11 |
11 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/castep.py |
Castep.find_pspots |
29 |
11 |
0 |
62.07% |
| /builds/debichem-team/python-ase/ase/calculators/castep.py |
Castep.get_total_energy |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/castep.py |
Castep.get_total_energy_corrected |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/castep.py |
Castep.get_free_energy |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/castep.py |
Castep.get_0K_energy |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/castep.py |
Castep.get_pressure |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/castep.py |
Castep.get_unit_cell |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/castep.py |
Castep.get_kpoints |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/castep.py |
Castep.get_number_cell_constraints |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/castep.py |
Castep.update |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/castep.py |
Castep.calculation_required |
9 |
9 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/castep.py |
Castep.calculate |
13 |
10 |
0 |
23.08% |
| /builds/debichem-team/python-ase/ase/calculators/castep.py |
Castep.push_oldstate |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/castep.py |
Castep.initialize |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/castep.py |
Castep.prepare_input_files |
35 |
8 |
0 |
77.14% |
| /builds/debichem-team/python-ase/ase/calculators/castep.py |
Castep._build_castep_seed |
3 |
1 |
0 |
66.67% |
| /builds/debichem-team/python-ase/ase/calculators/castep.py |
Castep._abs_path |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/castep.py |
Castep.run |
12 |
10 |
0 |
16.67% |
| /builds/debichem-team/python-ase/ase/calculators/castep.py |
Castep.__repr__ |
13 |
13 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/castep.py |
Castep.__getattr__ |
7 |
5 |
0 |
28.57% |
| /builds/debichem-team/python-ase/ase/calculators/castep.py |
Castep.__setattr__ |
48 |
31 |
0 |
35.42% |
| /builds/debichem-team/python-ase/ase/calculators/castep.py |
Castep.merge_param |
23 |
23 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/castep.py |
Castep.dryrun_ok |
29 |
29 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/castep.py |
Castep._fetch_pspots |
31 |
8 |
0 |
74.19% |
| /builds/debichem-team/python-ase/ase/calculators/castep.py |
_get_indices_to_sort_back |
11 |
2 |
0 |
81.82% |
| /builds/debichem-team/python-ase/ase/calculators/castep.py |
get_castep_version |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/castep.py |
_get_castep_version |
30 |
14 |
0 |
53.33% |
| /builds/debichem-team/python-ase/ase/calculators/castep.py |
create_castep_keywords |
62 |
58 |
0 |
6.45% |
| /builds/debichem-team/python-ase/ase/calculators/castep.py |
make_cell_dict |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/castep.py |
make_cell_dict.CastepCellDict.__init__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/castep.py |
make_param_dict |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/castep.py |
make_param_dict.CastepParamDict.__init__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/castep.py |
get_castep_pp_path |
7 |
2 |
0 |
71.43% |
| /builds/debichem-team/python-ase/ase/calculators/castep.py |
get_castep_command |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/castep.py |
shell_stdouterr |
2 |
1 |
0 |
50.00% |
| /builds/debichem-team/python-ase/ase/calculators/castep.py |
import_castep_keywords |
15 |
8 |
0 |
46.67% |
| /builds/debichem-team/python-ase/ase/calculators/castep.py |
(no function) |
113 |
16 |
0 |
85.84% |
| /builds/debichem-team/python-ase/ase/calculators/checkpoint.py |
DevNull.write |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/checkpoint.py |
Checkpoint.__init__ |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/checkpoint.py |
Checkpoint.__call__ |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/checkpoint.py |
Checkpoint.__call__.decorated_func |
12 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/checkpoint.py |
Checkpoint._increase_checkpoint_id |
5 |
1 |
0 |
80.00% |
| /builds/debichem-team/python-ase/ase/calculators/checkpoint.py |
Checkpoint._decrease_checkpoint_id |
6 |
2 |
0 |
66.67% |
| /builds/debichem-team/python-ase/ase/calculators/checkpoint.py |
Checkpoint._mangled_checkpoint_id |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/checkpoint.py |
Checkpoint.load |
23 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/checkpoint.py |
Checkpoint._flush |
25 |
7 |
0 |
72.00% |
| /builds/debichem-team/python-ase/ase/calculators/checkpoint.py |
Checkpoint.flush |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/checkpoint.py |
Checkpoint.save |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/checkpoint.py |
atoms_almost_equal |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/checkpoint.py |
CheckpointCalculator.__init__ |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/checkpoint.py |
CheckpointCalculator.calculate |
30 |
9 |
0 |
70.00% |
| /builds/debichem-team/python-ase/ase/calculators/checkpoint.py |
(no function) |
28 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/combine_mm.py |
CombineMM.__init__ |
15 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/combine_mm.py |
CombineMM.initialize |
13 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/combine_mm.py |
CombineMM.calculate |
29 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/combine_mm.py |
CombineMM.get_virtual_charges |
8 |
8 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/combine_mm.py |
CombineMM.add_virtual_sites |
6 |
6 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/combine_mm.py |
CombineMM.make_virtual_mask |
16 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/combine_mm.py |
CombineMM.coulomb |
54 |
3 |
0 |
94.44% |
| /builds/debichem-team/python-ase/ase/calculators/combine_mm.py |
CombineMM.lennard_jones |
43 |
2 |
0 |
95.35% |
| /builds/debichem-team/python-ase/ase/calculators/combine_mm.py |
CombineMM.redistribute_forces |
6 |
6 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/combine_mm.py |
(no function) |
17 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/counterions.py |
AtomicCounterIon.__init__ |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/counterions.py |
AtomicCounterIon.add_virtual_sites |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/counterions.py |
AtomicCounterIon.get_virtual_charges |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/counterions.py |
AtomicCounterIon.redistribute_forces |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/counterions.py |
AtomicCounterIon.calculate |
39 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/counterions.py |
(no function) |
11 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/cp2k.py |
CP2K.__init__ |
16 |
2 |
0 |
87.50% |
| /builds/debichem-team/python-ase/ase/calculators/cp2k.py |
CP2K.__del__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/cp2k.py |
CP2K.__exit__ |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/cp2k.py |
CP2K.close |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/cp2k.py |
CP2K.set |
7 |
1 |
0 |
85.71% |
| /builds/debichem-team/python-ase/ase/calculators/cp2k.py |
CP2K.write |
7 |
7 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/cp2k.py |
CP2K.read |
5 |
5 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/cp2k.py |
CP2K.calculate |
66 |
14 |
0 |
78.79% |
| /builds/debichem-team/python-ase/ase/calculators/cp2k.py |
CP2K._create_force_env |
13 |
2 |
0 |
84.62% |
| /builds/debichem-team/python-ase/ase/calculators/cp2k.py |
CP2K._write_file |
16 |
5 |
0 |
68.75% |
| /builds/debichem-team/python-ase/ase/calculators/cp2k.py |
CP2K._release_force_env |
7 |
6 |
0 |
14.29% |
| /builds/debichem-team/python-ase/ase/calculators/cp2k.py |
CP2K._generate_input |
79 |
13 |
0 |
83.54% |
| /builds/debichem-team/python-ase/ase/calculators/cp2k.py |
Cp2kShell.__init__ |
18 |
2 |
0 |
88.89% |
| /builds/debichem-team/python-ase/ase/calculators/cp2k.py |
Cp2kShell.__del__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/cp2k.py |
Cp2kShell.close |
12 |
3 |
0 |
75.00% |
| /builds/debichem-team/python-ase/ase/calculators/cp2k.py |
Cp2kShell.send |
8 |
2 |
0 |
75.00% |
| /builds/debichem-team/python-ase/ase/calculators/cp2k.py |
Cp2kShell.recv |
6 |
1 |
0 |
83.33% |
| /builds/debichem-team/python-ase/ase/calculators/cp2k.py |
Cp2kShell.expect |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/cp2k.py |
InputSection.__init__ |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/cp2k.py |
InputSection.write |
11 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/cp2k.py |
InputSection.add_keyword |
21 |
5 |
0 |
76.19% |
| /builds/debichem-team/python-ase/ase/calculators/cp2k.py |
InputSection.get_subsection |
11 |
1 |
0 |
90.91% |
| /builds/debichem-team/python-ase/ase/calculators/cp2k.py |
parse_input |
18 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/cp2k.py |
(no function) |
39 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/crystal.py |
CRYSTAL.__init__ |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/crystal.py |
CRYSTAL.write_crystal_in |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/crystal.py |
CRYSTAL._write_crystal_in |
89 |
89 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/crystal.py |
CRYSTAL.write_input |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/crystal.py |
CRYSTAL.read_results |
78 |
78 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/crystal.py |
CRYSTAL.embed |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/crystal.py |
PointChargePotential.__init__ |
6 |
6 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/crystal.py |
PointChargePotential.set_positions |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/crystal.py |
PointChargePotential.set_charges |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/crystal.py |
PointChargePotential.write_mmcharges |
8 |
8 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/crystal.py |
PointChargePotential.get_forces |
3 |
3 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/crystal.py |
PointChargePotential.read_forces_on_pointcharges |
19 |
19 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/crystal.py |
PointChargePotential.read_pc_corrections |
13 |
13 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/crystal.py |
PointChargePotential.manual_pc_correct |
15 |
15 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/crystal.py |
(no function) |
22 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/demon/__init__.py |
(no function) |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/demon/demon.py |
Parameters_deMon.__init__ |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/demon/demon.py |
Demon.__init__ |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/demon/demon.py |
Demon.__getitem__ |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/demon/demon.py |
Demon.set |
13 |
4 |
0 |
69.23% |
| /builds/debichem-team/python-ase/ase/calculators/demon/demon.py |
Demon.link_file |
5 |
5 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/demon/demon.py |
Demon.calculate |
35 |
21 |
0 |
40.00% |
| /builds/debichem-team/python-ase/ase/calculators/demon/demon.py |
Demon.set_label |
4 |
4 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/demon/demon.py |
Demon.write_input |
50 |
10 |
0 |
80.00% |
| /builds/debichem-team/python-ase/ase/calculators/demon/demon.py |
Demon.read |
5 |
5 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/demon/demon.py |
Demon._write_input_arguments |
5 |
2 |
0 |
60.00% |
| /builds/debichem-team/python-ase/ase/calculators/demon/demon.py |
Demon._write_argument |
17 |
12 |
0 |
29.41% |
| /builds/debichem-team/python-ase/ase/calculators/demon/demon.py |
Demon._write_atomic_coordinates |
20 |
1 |
0 |
95.00% |
| /builds/debichem-team/python-ase/ase/calculators/demon/demon.py |
Demon._write_basis |
23 |
10 |
0 |
56.52% |
| /builds/debichem-team/python-ase/ase/calculators/demon/demon.py |
Demon.read_results |
5 |
5 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/demon/demon.py |
Demon.read_energy |
8 |
8 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/demon/demon.py |
Demon.read_forces |
17 |
17 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/demon/demon.py |
Demon.read_eigenvalues |
10 |
10 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/demon/demon.py |
Demon.read_eigenvalues_one_spin |
29 |
29 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/demon/demon.py |
Demon.read_dipole |
10 |
10 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/demon/demon.py |
Demon.read_xray |
14 |
14 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/demon/demon.py |
Demon.deMon_inp_to_atoms |
42 |
42 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/demon/demon.py |
(no function) |
35 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/demon/demon_io.py |
parse_xray |
18 |
18 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/demon/demon_io.py |
(no function) |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/demonnano.py |
DemonNanoParameters.__init__ |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/demonnano.py |
DemonNano.__init__ |
9 |
3 |
0 |
66.67% |
| /builds/debichem-team/python-ase/ase/calculators/demonnano.py |
DemonNano.__getitem__ |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/demonnano.py |
DemonNano.write_input |
24 |
3 |
0 |
87.50% |
| /builds/debichem-team/python-ase/ase/calculators/demonnano.py |
DemonNano.read |
6 |
6 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/demonnano.py |
DemonNano._write_input_arguments |
5 |
2 |
0 |
60.00% |
| /builds/debichem-team/python-ase/ase/calculators/demonnano.py |
DemonNano._write_argument |
21 |
15 |
0 |
28.57% |
| /builds/debichem-team/python-ase/ase/calculators/demonnano.py |
DemonNano._write_atomic_coordinates |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/demonnano.py |
DemonNano.read_results |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/demonnano.py |
DemonNano.read_energy |
11 |
11 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/demonnano.py |
DemonNano.read_forces |
19 |
19 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/demonnano.py |
DemonNano.deMon_inp_to_atoms |
22 |
22 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/demonnano.py |
(no function) |
23 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/dftb.py |
Dftb.__init__ |
73 |
18 |
0 |
75.34% |
| /builds/debichem-team/python-ase/ase/calculators/dftb.py |
Dftb.write_dftb_in |
55 |
15 |
0 |
72.73% |
| /builds/debichem-team/python-ase/ase/calculators/dftb.py |
Dftb.check_state |
6 |
1 |
0 |
83.33% |
| /builds/debichem-team/python-ase/ase/calculators/dftb.py |
Dftb.write_input |
12 |
1 |
0 |
91.67% |
| /builds/debichem-team/python-ase/ase/calculators/dftb.py |
Dftb.read_results |
34 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/dftb.py |
Dftb.read_forces |
15 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/dftb.py |
Dftb.read_charges_energy_dipole |
21 |
1 |
0 |
95.24% |
| /builds/debichem-team/python-ase/ase/calculators/dftb.py |
Dftb.get_charges |
3 |
3 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/dftb.py |
Dftb.read_eigenvalues |
18 |
1 |
0 |
94.44% |
| /builds/debichem-team/python-ase/ase/calculators/dftb.py |
Dftb.read_fermi_levels |
14 |
1 |
0 |
92.86% |
| /builds/debichem-team/python-ase/ase/calculators/dftb.py |
Dftb.get_ibz_k_points |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/dftb.py |
Dftb.get_number_of_spins |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/dftb.py |
Dftb.get_eigenvalues |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/dftb.py |
Dftb.get_fermi_levels |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/dftb.py |
Dftb.get_fermi_level |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/dftb.py |
Dftb.embed |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/dftb.py |
PointChargePotential.__init__ |
4 |
4 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/dftb.py |
PointChargePotential.set_positions |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/dftb.py |
PointChargePotential.set_charges |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/dftb.py |
PointChargePotential.write_mmcharges |
7 |
7 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/dftb.py |
PointChargePotential.get_forces |
3 |
3 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/dftb.py |
PointChargePotential.read_forces_on_pointcharges |
13 |
13 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/dftb.py |
read_max_angular_momentum |
14 |
3 |
0 |
78.57% |
| /builds/debichem-team/python-ase/ase/calculators/dftb.py |
(no function) |
32 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/dftd3.py |
dftd3_defaults |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/dftd3.py |
DFTD3.__init__ |
16 |
4 |
0 |
75.00% |
| /builds/debichem-team/python-ase/ase/calculators/dftd3.py |
DFTD3.todict |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/dftd3.py |
DFTD3.calculate |
11 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/dftd3.py |
DFTD3._get_properties |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/dftd3.py |
PureDFTD3.__init__ |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/dftd3.py |
PureDFTD3.set |
39 |
12 |
0 |
69.23% |
| /builds/debichem-team/python-ase/ase/calculators/dftd3.py |
PureDFTD3.calculate |
15 |
2 |
0 |
86.67% |
| /builds/debichem-team/python-ase/ase/calculators/dftd3.py |
PureDFTD3.write_input |
9 |
1 |
0 |
88.89% |
| /builds/debichem-team/python-ase/ase/calculators/dftd3.py |
PureDFTD3._actually_write_input |
9 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/dftd3.py |
PureDFTD3._outname |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/dftd3.py |
PureDFTD3._read_and_broadcast_results |
7 |
1 |
0 |
85.71% |
| /builds/debichem-team/python-ase/ase/calculators/dftd3.py |
PureDFTD3.read_results |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/dftd3.py |
DFTD3Inputs.__init__ |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/dftd3.py |
DFTD3Inputs.pbc |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/dftd3.py |
DFTD3Inputs.inputformat |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/dftd3.py |
DFTD3Inputs.get_argv |
17 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/dftd3.py |
DFTD3Output.__init__ |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/dftd3.py |
DFTD3Output.read |
9 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/dftd3.py |
DFTD3Output.read_forces |
9 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/dftd3.py |
DFTD3Output.read_stress |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/dftd3.py |
DFTD3Output.read_cellgradient |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/dftd3.py |
DFTD3Output.read_energy |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/dftd3.py |
DFTD3Output.parse_energy |
13 |
2 |
0 |
84.62% |
| /builds/debichem-team/python-ase/ase/calculators/dftd3.py |
DFTD3Output.parse_forces |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/dftd3.py |
DFTD3Output.parse_cellgradient |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/dftd3.py |
_get_damppars |
26 |
13 |
0 |
50.00% |
| /builds/debichem-team/python-ase/ase/calculators/dftd3.py |
(no function) |
50 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/dmol.py |
DMol3.__init__ |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/dmol.py |
DMol3.write_input |
13 |
3 |
0 |
76.92% |
| /builds/debichem-team/python-ase/ase/calculators/dmol.py |
DMol3.write_input_file |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/dmol.py |
DMol3._write_input_file |
9 |
4 |
0 |
55.56% |
| /builds/debichem-team/python-ase/ase/calculators/dmol.py |
DMol3.read |
10 |
10 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/dmol.py |
DMol3.read_results |
6 |
6 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/dmol.py |
DMol3.finished_successfully |
8 |
8 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/dmol.py |
DMol3.find_dmol_transformation |
18 |
18 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/dmol.py |
DMol3.read_atoms_from_outmol |
24 |
24 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/dmol.py |
DMol3.read_energy |
10 |
10 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/dmol.py |
DMol3.read_forces |
11 |
11 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/dmol.py |
DMol3.get_eigenvalues |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/dmol.py |
DMol3.get_occupations |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/dmol.py |
DMol3.get_k_point_weights |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/dmol.py |
DMol3.get_bz_k_points |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/dmol.py |
DMol3.get_ibz_k_points |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/dmol.py |
DMol3.get_spin_polarized |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/dmol.py |
DMol3.get_fermi_level |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/dmol.py |
DMol3.get_energy_contributions |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/dmol.py |
DMol3.get_xc_functional |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/dmol.py |
DMol3.read_eigenvalues |
38 |
38 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/dmol.py |
DMol3._outmol_lines |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/dmol.py |
DMol3.read_kpts |
12 |
12 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/dmol.py |
DMol3.read_spin_polarized |
7 |
7 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/dmol.py |
DMol3.read_fermi |
7 |
7 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/dmol.py |
DMol3.read_energy_contributions |
9 |
9 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/dmol.py |
DMol3.clean |
9 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/dmol.py |
find_transformation |
31 |
16 |
0 |
48.39% |
| /builds/debichem-team/python-ase/ase/calculators/dmol.py |
grd_to_file |
6 |
6 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/dmol.py |
read_grd |
23 |
23 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/dmol.py |
(no function) |
48 |
5 |
0 |
89.58% |
| /builds/debichem-team/python-ase/ase/calculators/eam.py |
EAM.__init__ |
9 |
1 |
0 |
88.89% |
| /builds/debichem-team/python-ase/ase/calculators/eam.py |
EAM.set_form |
10 |
1 |
0 |
90.00% |
| /builds/debichem-team/python-ase/ase/calculators/eam.py |
EAM.read_potential |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/eam.py |
EAM._read_potential |
102 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/eam.py |
EAM._read_potential.lines_to_list |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/eam.py |
EAM.set_splines |
18 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/eam.py |
EAM.set_fs_splines |
19 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/eam.py |
EAM.set_adp_splines |
15 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/eam.py |
EAM.read_adp_data |
10 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/eam.py |
EAM.write_potential |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/eam.py |
EAM._write_potential |
26 |
8 |
0 |
69.23% |
| /builds/debichem-team/python-ase/ase/calculators/eam.py |
EAM.update |
10 |
1 |
0 |
90.00% |
| /builds/debichem-team/python-ase/ase/calculators/eam.py |
EAM.calculate |
12 |
2 |
0 |
83.33% |
| /builds/debichem-team/python-ase/ase/calculators/eam.py |
EAM.calculate_energy |
45 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/eam.py |
EAM.calculate_forces |
25 |
4 |
0 |
84.00% |
| /builds/debichem-team/python-ase/ase/calculators/eam.py |
EAM.angular_forces |
13 |
13 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/eam.py |
EAM.adp_dipole |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/eam.py |
EAM.adp_quadrupole |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/eam.py |
EAM.deriv |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/eam.py |
EAM.deriv.d_spline |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/eam.py |
EAM.plot |
27 |
27 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/eam.py |
EAM.elem_subplot |
6 |
6 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/eam.py |
EAM.multielem_subplot |
7 |
7 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/eam.py |
(no function) |
31 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/elk.py |
ELK.__init__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/elk.py |
ELK.write_input |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/elk.py |
ELK.read_results |
8 |
1 |
0 |
87.50% |
| /builds/debichem-team/python-ase/ase/calculators/elk.py |
ELK._outputmixin_get_results |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/elk.py |
(no function) |
15 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/emt.py |
EMT.__init__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/emt.py |
EMT.initialize |
29 |
1 |
0 |
96.55% |
| /builds/debichem-team/python-ase/ase/calculators/emt.py |
EMT._calc_cutoff |
12 |
1 |
0 |
91.67% |
| /builds/debichem-team/python-ase/ase/calculators/emt.py |
EMT._calc_gammas |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/emt.py |
EMT.calculate |
44 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/emt.py |
EMT._get_neighbors |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/emt.py |
EMT._calc_theta |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/emt.py |
EMT._calc_dsigma1 |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/emt.py |
EMT._calc_dsigma2 |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/emt.py |
EMT._calc_e_c_a2 |
16 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/emt.py |
EMT._calc_efs_a1 |
12 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/emt.py |
EMT._calc_fs_c_a2 |
9 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/emt.py |
(no function) |
25 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/espresso.py |
EspressoProfile.__init__ |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/espresso.py |
EspressoProfile.parse_version |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/espresso.py |
EspressoProfile.version |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/espresso.py |
EspressoProfile.get_calculator_command |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/espresso.py |
EspressoTemplate.__init__ |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/espresso.py |
EspressoTemplate.write_input |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/espresso.py |
EspressoTemplate.execute |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/espresso.py |
EspressoTemplate.read_results |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/espresso.py |
EspressoTemplate.load_profile |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/espresso.py |
EspressoTemplate.socketio_parameters |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/espresso.py |
EspressoTemplate.socketio_argv |
4 |
1 |
0 |
75.00% |
| /builds/debichem-team/python-ase/ase/calculators/espresso.py |
Espresso.__init__ |
8 |
1 |
0 |
87.50% |
| /builds/debichem-team/python-ase/ase/calculators/espresso.py |
(no function) |
24 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/excitation_list.py |
Excitation.__init__ |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/excitation_list.py |
Excitation.outstring |
9 |
1 |
0 |
88.89% |
| /builds/debichem-team/python-ase/ase/calculators/excitation_list.py |
Excitation.outstring.format_me |
7 |
2 |
0 |
71.43% |
| /builds/debichem-team/python-ase/ase/calculators/excitation_list.py |
Excitation.fromstring |
13 |
2 |
0 |
84.62% |
| /builds/debichem-team/python-ase/ase/calculators/excitation_list.py |
Excitation.get_dipole_me |
6 |
2 |
0 |
66.67% |
| /builds/debichem-team/python-ase/ase/calculators/excitation_list.py |
Excitation.get_dipole_tensor |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/excitation_list.py |
Excitation.get_oscillator_strength |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/excitation_list.py |
ExcitationList.__init__ |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/excitation_list.py |
polarizability |
13 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/excitation_list.py |
(no function) |
13 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/exciting/__init__.py |
(no function) |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/exciting/exciting.py |
ExcitingProfile.__init__ |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/exciting/exciting.py |
ExcitingProfile.version |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/exciting/exciting.py |
ExcitingProfile.get_calculator_command |
3 |
3 |
0 |
0.00% |
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ExcitingGroundStateTemplate.write_input |
8 |
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ExcitingGroundStateResults.__init__ |
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ExcitingGroundStateResults.forces |
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ExcitingGroundStateResults.stress |
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ExcitingGroundStateCalculator.__init__ |
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SubprocessRunResults.__init__ |
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SimpleBinaryRunner.__init__ |
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SimpleBinaryRunner.compose_execution_list |
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SimpleBinaryRunner.run |
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FiniteDifferenceCalculator.__init__ |
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FiniteDifferenceCalculator.calculate |
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_numeric_force |
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calculate_numerical_forces |
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calculate_numerical_stress |
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ForceField.__init__ |
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ForceField.calculate |
97 |
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ForceField.get_hessian |
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get_limits |
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FLEUR |
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GAMESSUS.__init__ |
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GAMESSUS.calculate |
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GAMESSUS.read_results |
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GaussianDynamics.__init__ |
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GaussianDynamics.todict |
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GaussianDynamics.delete_keywords |
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GaussianDynamics.set_keywords |
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GaussianDynamics.run |
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Gaussian.__init__ |
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Gaussian.write_input |
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Gaussian.read_results |
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Gaussian.clean |
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Gaussian.get_version |
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BaseProfile.__init__ |
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BaseProfile._split_command |
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BaseProfile.run |
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BaseProfile.from_config |
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read_stdout |
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CalculatorTemplate.__init__ |
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CalculatorTemplate.load_profile |
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GenericFileIOCalculator.__init__ |
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GenericFileIOCalculator.set |
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parse_gromacs_version |
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get_gromacs_version |
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do_clean |
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Gromacs.__init__ |
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Gromacs.run |
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Gromacs.update |
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Gromacs.calculate |
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GULPOptimizer.__init__ |
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GULPOptimizer.todict |
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GULPOptimizer.run |
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GULP.get_optimizer |
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GULP.__init__ |
8 |
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GULP.write_input |
28 |
8 |
0 |
71.43% |
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GULP.read_results |
95 |
95 |
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GULP.get_opt_state |
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GULP.get_opt_steps |
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GULP.get_Gnorm |
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GULP.library_check |
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Conditions.__init__ |
4 |
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| /builds/debichem-team/python-ase/ase/calculators/gulp.py |
Conditions.min_distance_rule |
30 |
30 |
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Conditions.get_atom_types |
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Conditions.get_atoms_labels |
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2 |
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(no function) |
27 |
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100.00% |
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H2Morse |
5 |
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0 |
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H2MorseCalculator.__init__ |
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H2MorseCalculator.calculate |
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H2MorseCalculator.read |
7 |
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H2MorseCalculator.write |
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H2MorseCalculator.overlap |
6 |
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100.00% |
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H2MorseExcitedStatesCalculator.__init__ |
2 |
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100.00% |
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H2MorseExcitedStatesCalculator.calculate |
16 |
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100.00% |
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H2MorseExcitedStates.__init__ |
2 |
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H2MorseExcitedStates.overlap |
1 |
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0 |
100.00% |
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H2MorseExcitedStates.read |
7 |
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0 |
100.00% |
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H2MorseExcitedStates.write |
4 |
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H2Excitation.__eq__ |
1 |
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H2Excitation.__hash__ |
3 |
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H2MorseExcitedStatesAndCalculator.__init__ |
9 |
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(no function) |
40 |
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HarmonicCalculator.__init__ |
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HarmonicCalculator.calculate |
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HarmonicForceField.__init__ |
11 |
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HarmonicForceField.check_input |
10 |
0 |
0 |
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HarmonicForceField.setup_reference_hessians |
4 |
0 |
0 |
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HarmonicForceField.constrain_jac |
7 |
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0 |
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HarmonicForceField.transform2reference_hessians |
11 |
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HarmonicForceField.get_ijac |
4 |
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0 |
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HarmonicForceField.get_energy_forces |
25 |
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0 |
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HarmonicForceField.back_transform |
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0 |
100.00% |
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HarmonicForceField.check_redundancy |
5 |
1 |
0 |
80.00% |
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HarmonicForceField.hessian_x |
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0 |
0 |
100.00% |
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HarmonicForceField.hessian_q |
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SpringCalculator.__init__ |
3 |
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SpringCalculator.calculate |
3 |
0 |
0 |
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SpringCalculator.compute_energy_and_forces |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/harmonic.py |
SpringCalculator.get_free_energy |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/harmonic.py |
SpringCalculator.compute_Einstein_solid_free_energy |
11 |
3 |
0 |
72.73% |
| /builds/debichem-team/python-ase/ase/calculators/harmonic.py |
(no function) |
33 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/idealgas.py |
IdealGas.calculate |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/idealgas.py |
(no function) |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/__init__.py |
(no function) |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/calculators.py |
KIMCalculator |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/calculators.py |
LAMMPSRunCalculator |
7 |
7 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/calculators.py |
LAMMPSRunCalculator.get_params |
13 |
13 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/calculators.py |
LAMMPSLibCalculator |
8 |
8 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/calculators.py |
ASAPCalculator |
33 |
33 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/calculators.py |
_check_conflict_options |
7 |
3 |
0 |
57.14% |
| /builds/debichem-team/python-ase/ase/calculators/kim/calculators.py |
(no function) |
13 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/exceptions.py |
(no function) |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kim.py |
KIM |
31 |
23 |
0 |
25.81% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kim.py |
_is_portable_model |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kim.py |
get_model_supported_species |
6 |
6 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kim.py |
(no function) |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kimmodel.py |
KIMModelData.__init__ |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kimmodel.py |
KIMModelData._init_kim |
5 |
1 |
0 |
80.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kimmodel.py |
KIMModelData._init_neigh |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kimmodel.py |
KIMModelData.get_model_neighbor_list_parameters |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kimmodel.py |
KIMModelData.update_compute_args_pointers |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kimmodel.py |
KIMModelData._create_species_map |
7 |
1 |
0 |
85.71% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kimmodel.py |
KIMModelData.padding_image_of |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kimmodel.py |
KIMModelData.num_particles |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kimmodel.py |
KIMModelData.coords |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kimmodel.py |
KIMModelData._particle_contributing |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kimmodel.py |
KIMModelData.species_code |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kimmodel.py |
KIMModelData.kim_initialized |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kimmodel.py |
KIMModelData._neigh_initialized |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kimmodel.py |
KIMModelData._get_model_supported_species_and_codes |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kimmodel.py |
KIMModelCalculator.__init__ |
11 |
1 |
0 |
90.91% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kimmodel.py |
KIMModelCalculator.__enter__ |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kimmodel.py |
KIMModelCalculator.__exit__ |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kimmodel.py |
KIMModelCalculator.__repr__ |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kimmodel.py |
KIMModelCalculator.calculate |
23 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kimmodel.py |
KIMModelCalculator.check_state |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kimmodel.py |
KIMModelCalculator._assemble_padding_forces |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kimmodel.py |
KIMModelCalculator._compute_virial_stress |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kimmodel.py |
KIMModelCalculator._update_compute_args_pointers |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kimmodel.py |
KIMModelCalculator._kim_model |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kimmodel.py |
KIMModelCalculator._compute_args |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kimmodel.py |
KIMModelCalculator._num_particles |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kimmodel.py |
KIMModelCalculator._coords |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kimmodel.py |
KIMModelCalculator._padding_image_of |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kimmodel.py |
KIMModelCalculator._species_map |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kimmodel.py |
KIMModelCalculator._neigh |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kimmodel.py |
KIMModelCalculator._num_contributing_particles |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kimmodel.py |
KIMModelCalculator._update_kim_coords |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kimmodel.py |
KIMModelCalculator._need_neigh_update |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kimmodel.py |
KIMModelCalculator._update_neigh |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kimmodel.py |
KIMModelCalculator.parameters_metadata |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kimmodel.py |
KIMModelCalculator.parameter_names |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kimmodel.py |
KIMModelCalculator.get_parameters |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kimmodel.py |
KIMModelCalculator.set_parameters |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kimmodel.py |
KIMModelCalculator._model_refresh_and_update_neighbor_list_parameters |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kimmodel.py |
(no function) |
70 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kimpy_wrappers.py |
LazyKimpyImport.__getattr__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kimpy_wrappers.py |
LazyKimpyImport._kimpy |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kimpy_wrappers.py |
Wrappers.collections_create |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kimpy_wrappers.py |
Wrappers.model_create |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kimpy_wrappers.py |
Wrappers.simulator_model_create |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kimpy_wrappers.py |
Wrappers.get_species_name |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kimpy_wrappers.py |
Wrappers.get_number_of_species_names |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kimpy_wrappers.py |
Wrappers.collection_item_type_portableModel |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kimpy_wrappers.py |
c_int_args |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kimpy_wrappers.py |
c_int_args.myfunc |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kimpy_wrappers.py |
check_call |
4 |
2 |
0 |
50.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kimpy_wrappers.py |
check_call_wrapper |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kimpy_wrappers.py |
check_call_wrapper.myfunc |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kimpy_wrappers.py |
ModelCollections.__init__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kimpy_wrappers.py |
ModelCollections.__enter__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kimpy_wrappers.py |
ModelCollections.__exit__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kimpy_wrappers.py |
ModelCollections.get_item_type |
6 |
3 |
0 |
50.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kimpy_wrappers.py |
ModelCollections.initialized |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kimpy_wrappers.py |
PortableModel.__init__ |
14 |
8 |
0 |
42.86% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kimpy_wrappers.py |
PortableModel.__enter__ |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kimpy_wrappers.py |
PortableModel.__exit__ |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kimpy_wrappers.py |
PortableModel._get_number_of_parameters |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kimpy_wrappers.py |
PortableModel._create_parameters |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kimpy_wrappers.py |
PortableModel._create_parameters._kim_model_parameter |
6 |
1 |
0 |
83.33% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kimpy_wrappers.py |
PortableModel.get_model_supported_species_and_codes |
10 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kimpy_wrappers.py |
PortableModel.clear_then_refresh |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kimpy_wrappers.py |
PortableModel._get_parameter_metadata |
5 |
2 |
0 |
60.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kimpy_wrappers.py |
PortableModel.parameters_metadata |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kimpy_wrappers.py |
PortableModel.parameter_names |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kimpy_wrappers.py |
PortableModel.get_parameters |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kimpy_wrappers.py |
PortableModel.set_parameters |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kimpy_wrappers.py |
PortableModel._get_one_parameter |
3 |
1 |
0 |
66.67% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kimpy_wrappers.py |
PortableModel._set_one_parameter |
3 |
1 |
0 |
66.67% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kimpy_wrappers.py |
PortableModel._get_one_parameter_metadata |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kimpy_wrappers.py |
PortableModel.compute |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kimpy_wrappers.py |
PortableModel.get_species_support_and_code |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kimpy_wrappers.py |
PortableModel.get_influence_distance |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kimpy_wrappers.py |
PortableModel.get_neighbor_list_cutoffs_and_hints |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kimpy_wrappers.py |
PortableModel.compute_arguments_create |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kimpy_wrappers.py |
PortableModel.initialized |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kimpy_wrappers.py |
KIMModelParameter.__init__ |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kimpy_wrappers.py |
KIMModelParameter.metadata |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kimpy_wrappers.py |
KIMModelParameter._get_one_value |
5 |
2 |
0 |
60.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kimpy_wrappers.py |
KIMModelParameter._set_one_value |
5 |
2 |
0 |
60.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kimpy_wrappers.py |
KIMModelParameter.get_values |
9 |
5 |
0 |
44.44% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kimpy_wrappers.py |
KIMModelParameter.set_values |
11 |
1 |
0 |
90.91% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kimpy_wrappers.py |
ComputeArguments.__init__ |
28 |
8 |
0 |
71.43% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kimpy_wrappers.py |
ComputeArguments.set_argument_pointer |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kimpy_wrappers.py |
ComputeArguments.get_argument_support_status |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kimpy_wrappers.py |
ComputeArguments.get_callback_support_status |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kimpy_wrappers.py |
ComputeArguments.set_callback |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kimpy_wrappers.py |
ComputeArguments.set_callback_pointer |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kimpy_wrappers.py |
ComputeArguments.update |
11 |
2 |
0 |
81.82% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kimpy_wrappers.py |
SimulatorModel.__init__ |
3 |
3 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kimpy_wrappers.py |
SimulatorModel.__enter__ |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kimpy_wrappers.py |
SimulatorModel.__exit__ |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kimpy_wrappers.py |
SimulatorModel.simulator_name |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kimpy_wrappers.py |
SimulatorModel.num_supported_species |
4 |
4 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kimpy_wrappers.py |
SimulatorModel.supported_species |
5 |
5 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kimpy_wrappers.py |
SimulatorModel.num_metadata_fields |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kimpy_wrappers.py |
SimulatorModel.metadata |
8 |
8 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kimpy_wrappers.py |
SimulatorModel.supported_units |
5 |
5 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kimpy_wrappers.py |
SimulatorModel.atom_style |
5 |
5 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kimpy_wrappers.py |
SimulatorModel.model_defn |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kimpy_wrappers.py |
SimulatorModel.initialized |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/kimpy_wrappers.py |
(no function) |
116 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/neighborlist.py |
NeighborList.__setattr__ |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/neighborlist.py |
NeighborList.__init__ |
21 |
9 |
0 |
57.14% |
| /builds/debichem-team/python-ase/ase/calculators/kim/neighborlist.py |
NeighborList.set_neigh_parameters |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/neighborlist.py |
NeighborList.update_kim_coords |
8 |
2 |
0 |
75.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/neighborlist.py |
NeighborList.need_neigh_update |
16 |
1 |
0 |
93.75% |
| /builds/debichem-team/python-ase/ase/calculators/kim/neighborlist.py |
ASENeighborList.__init__ |
3 |
3 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/neighborlist.py |
ASENeighborList.get_neigh |
5 |
5 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/neighborlist.py |
ASENeighborList.build |
50 |
50 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/neighborlist.py |
ASENeighborList.update |
16 |
16 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/neighborlist.py |
KimpyNeighborList.__init__ |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/neighborlist.py |
KimpyNeighborList.build |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/neighborlist.py |
KimpyNeighborList.create_paddings |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/kim/neighborlist.py |
KimpyNeighborList.update |
30 |
4 |
0 |
86.67% |
| /builds/debichem-team/python-ase/ase/calculators/kim/neighborlist.py |
(no function) |
25 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/lammps/__init__.py |
(no function) |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/lammps/coordinatetransform.py |
calc_box_parameters |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/lammps/coordinatetransform.py |
calc_rotated_cell |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/lammps/coordinatetransform.py |
calc_reduced_cell |
9 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/lammps/coordinatetransform.py |
Prism.__init__ |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/lammps/coordinatetransform.py |
Prism.cell |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/lammps/coordinatetransform.py |
Prism.get_lammps_prism |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/lammps/coordinatetransform.py |
Prism.update_cell |
15 |
3 |
0 |
80.00% |
| /builds/debichem-team/python-ase/ase/calculators/lammps/coordinatetransform.py |
Prism.vector_to_lammps |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/lammps/coordinatetransform.py |
Prism.vector_to_ase |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/lammps/coordinatetransform.py |
Prism.tensor2_to_ase |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/lammps/coordinatetransform.py |
Prism.is_skewed |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/lammps/coordinatetransform.py |
(no function) |
17 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/lammps/inputwriter.py |
lammps_create_atoms |
21 |
7 |
0 |
66.67% |
| /builds/debichem-team/python-ase/ase/calculators/lammps/inputwriter.py |
write_lammps_in |
67 |
14 |
0 |
79.10% |
| /builds/debichem-team/python-ase/ase/calculators/lammps/inputwriter.py |
write_lammps_in.write_model_post_and_masses |
7 |
3 |
0 |
57.14% |
| /builds/debichem-team/python-ase/ase/calculators/lammps/inputwriter.py |
(no function) |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/lammps/unitconvert.py |
convert |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/lammps/unitconvert.py |
(no function) |
13 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/lammps/unitconvert_constants.py |
(no function) |
78 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/lammpslib.py |
is_upper_triangular |
3 |
3 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/lammpslib.py |
convert_cell |
20 |
20 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/lammpslib.py |
LAMMPSlib.__init__ |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/lammpslib.py |
LAMMPSlib.__enter__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/lammpslib.py |
LAMMPSlib.__exit__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/lammpslib.py |
LAMMPSlib.clean |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/lammpslib.py |
LAMMPSlib.set_cell |
21 |
6 |
0 |
71.43% |
| /builds/debichem-team/python-ase/ase/calculators/lammpslib.py |
LAMMPSlib.set_lammps_pos |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/lammpslib.py |
LAMMPSlib.calculate |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/lammpslib.py |
LAMMPSlib.propagate |
84 |
24 |
0 |
71.43% |
| /builds/debichem-team/python-ase/ase/calculators/lammpslib.py |
LAMMPSlib.lammpsbc |
12 |
1 |
0 |
91.67% |
| /builds/debichem-team/python-ase/ase/calculators/lammpslib.py |
LAMMPSlib.rebuild |
19 |
9 |
0 |
52.63% |
| /builds/debichem-team/python-ase/ase/calculators/lammpslib.py |
LAMMPSlib.redo_atom_types |
14 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/lammpslib.py |
LAMMPSlib.restart_lammps |
7 |
7 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/lammpslib.py |
LAMMPSlib.start_lammps |
19 |
3 |
0 |
84.21% |
| /builds/debichem-team/python-ase/ase/calculators/lammpslib.py |
LAMMPSlib.initialise_lammps |
40 |
2 |
0 |
95.00% |
| /builds/debichem-team/python-ase/ase/calculators/lammpslib.py |
(no function) |
33 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/lammpsrun.py |
LAMMPS.__init__ |
15 |
4 |
0 |
73.33% |
| /builds/debichem-team/python-ase/ase/calculators/lammpsrun.py |
LAMMPS.get_lammps_command |
11 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/lammpsrun.py |
LAMMPS.clean |
3 |
3 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/lammpsrun.py |
LAMMPS.check_state |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/lammpsrun.py |
LAMMPS.calculate |
6 |
2 |
0 |
66.67% |
| /builds/debichem-team/python-ase/ase/calculators/lammpsrun.py |
LAMMPS._lmp_alive |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/lammpsrun.py |
LAMMPS._lmp_end |
9 |
3 |
0 |
66.67% |
| /builds/debichem-team/python-ase/ase/calculators/lammpsrun.py |
LAMMPS.set_missing_parameters |
11 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/lammpsrun.py |
LAMMPS.run |
71 |
7 |
0 |
90.14% |
| /builds/debichem-team/python-ase/ase/calculators/lammpsrun.py |
LAMMPS.__enter__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/lammpsrun.py |
LAMMPS.__exit__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/lammpsrun.py |
LAMMPS.read_lammps_log |
21 |
1 |
0 |
95.24% |
| /builds/debichem-team/python-ase/ase/calculators/lammpsrun.py |
SpecialTee.__init__ |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/lammpsrun.py |
SpecialTee.write |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/lammpsrun.py |
SpecialTee.read |
3 |
3 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/lammpsrun.py |
SpecialTee.readline |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/lammpsrun.py |
SpecialTee.readlines |
3 |
3 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/lammpsrun.py |
SpecialTee.flush |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/lammpsrun.py |
(no function) |
43 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/lj.py |
LennardJones.__init__ |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/lj.py |
LennardJones.calculate |
48 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/lj.py |
cutoff_function |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/lj.py |
d_cutoff_function |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/lj.py |
(no function) |
13 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/loggingcalc.py |
LoggingCalculator.__init__ |
10 |
1 |
0 |
90.00% |
| /builds/debichem-team/python-ase/ase/calculators/loggingcalc.py |
LoggingCalculator.calculate |
31 |
9 |
0 |
70.97% |
| /builds/debichem-team/python-ase/ase/calculators/loggingcalc.py |
LoggingCalculator.write_json |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/loggingcalc.py |
LoggingCalculator.read_json |
16 |
16 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/loggingcalc.py |
LoggingCalculator.tabulate |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/loggingcalc.py |
LoggingCalculator.plot |
47 |
6 |
0 |
87.23% |
| /builds/debichem-team/python-ase/ase/calculators/loggingcalc.py |
(no function) |
18 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/mixing.py |
Mixer.__init__ |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/mixing.py |
Mixer.check_input |
4 |
1 |
0 |
75.00% |
| /builds/debichem-team/python-ase/ase/calculators/mixing.py |
Mixer.get_properties |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/mixing.py |
Mixer.get_properties.get_property |
9 |
3 |
0 |
66.67% |
| /builds/debichem-team/python-ase/ase/calculators/mixing.py |
Mixer.make_stress_voigt |
9 |
1 |
0 |
88.89% |
| /builds/debichem-team/python-ase/ase/calculators/mixing.py |
LinearCombinationCalculator.__init__ |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/mixing.py |
LinearCombinationCalculator.calculate |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/mixing.py |
LinearCombinationCalculator.__str__ |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/mixing.py |
MixedCalculator.__init__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/mixing.py |
MixedCalculator.set_weights |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/mixing.py |
MixedCalculator.get_energy_contributions |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/mixing.py |
SumCalculator.__init__ |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/mixing.py |
AverageCalculator.__init__ |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/mixing.py |
(no function) |
21 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/mopac.py |
get_version_number |
7 |
1 |
0 |
85.71% |
| /builds/debichem-team/python-ase/ase/calculators/mopac.py |
MOPAC.__init__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/mopac.py |
MOPAC.write_input |
23 |
2 |
0 |
91.30% |
| /builds/debichem-team/python-ase/ase/calculators/mopac.py |
MOPAC.get_spin_polarized |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/mopac.py |
MOPAC.get_index |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/mopac.py |
MOPAC.read |
19 |
1 |
0 |
94.74% |
| /builds/debichem-team/python-ase/ase/calculators/mopac.py |
MOPAC.read_atoms_from_file |
14 |
1 |
0 |
92.86% |
| /builds/debichem-team/python-ase/ase/calculators/mopac.py |
MOPAC.read_parameters_from_file |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/mopac.py |
MOPAC.read_results |
52 |
3 |
0 |
94.23% |
| /builds/debichem-team/python-ase/ase/calculators/mopac.py |
MOPAC.get_eigenvalues |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/mopac.py |
MOPAC.get_homo_lumo_levels |
13 |
4 |
0 |
69.23% |
| /builds/debichem-team/python-ase/ase/calculators/mopac.py |
MOPAC.get_somo_levels |
7 |
7 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/mopac.py |
MOPAC.get_final_heat_of_formation |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/mopac.py |
MOPAC.final_hof |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/mopac.py |
MOPAC.final_hof |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/mopac.py |
(no function) |
33 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/morse.py |
fcut |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/morse.py |
fcut_d |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/morse.py |
MorsePotential.__init__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/morse.py |
MorsePotential.calculate |
26 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/morse.py |
(no function) |
12 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/names.py |
Templates.__init__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/names.py |
Templates.__iter__ |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/names.py |
Templates.__getitem__ |
4 |
4 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/names.py |
Templates.__len__ |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/names.py |
(no function) |
10 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/nwchem.py |
NWChem.__init__ |
4 |
1 |
0 |
75.00% |
| /builds/debichem-team/python-ase/ase/calculators/nwchem.py |
NWChem.input_filename |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/nwchem.py |
NWChem.output_filename |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/nwchem.py |
NWChem.write_input |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/nwchem.py |
NWChem.read_results |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/nwchem.py |
NWChem.band_structure |
12 |
12 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/nwchem.py |
(no function) |
19 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/octopus.py |
OctopusProfile.get_calculator_command |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/octopus.py |
OctopusProfile.version |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/octopus.py |
OctopusTemplate.__init__ |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/octopus.py |
OctopusTemplate.read_results |
10 |
4 |
0 |
60.00% |
| /builds/debichem-team/python-ase/ase/calculators/octopus.py |
OctopusTemplate.execute |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/octopus.py |
OctopusTemplate.write_input |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/octopus.py |
OctopusTemplate.load_profile |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/octopus.py |
Octopus.__init__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/octopus.py |
Octopus.recipe |
9 |
9 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/octopus.py |
(no function) |
20 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/onetep.py |
OnetepProfile.__init__ |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/onetep.py |
OnetepProfile.version |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/onetep.py |
OnetepProfile.parse_version |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/onetep.py |
OnetepProfile.get_calculator_command |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/onetep.py |
OnetepTemplate.__init__ |
5 |
5 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/onetep.py |
OnetepTemplate.execute |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/onetep.py |
OnetepTemplate.read_results |
3 |
3 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/onetep.py |
OnetepTemplate.write_input |
6 |
6 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/onetep.py |
OnetepTemplate.load_profile |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/onetep.py |
Onetep.__init__ |
3 |
3 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/onetep.py |
(no function) |
18 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/__init__.py |
(no function) |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/default_settings.py |
(no function) |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/dos.py |
input_command |
3 |
3 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/dos.py |
DOS.__init__ |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/dos.py |
DOS.read_dos |
52 |
52 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/dos.py |
DOS.subplot_dos |
72 |
72 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/dos.py |
DOS.plot_dos |
70 |
70 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/dos.py |
DOS.calc_dos |
25 |
25 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/dos.py |
DOS.get_dos |
47 |
47 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/dos.py |
(no function) |
13 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/openmx.py |
parse_omx_version |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/openmx.py |
OpenMX.__init__ |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/openmx.py |
OpenMX.__getitem__ |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/openmx.py |
OpenMX.__setitem__ |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/openmx.py |
OpenMX.initialize_output_setting |
7 |
1 |
0 |
85.71% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/openmx.py |
OpenMX.initialize_pbs |
9 |
7 |
0 |
22.22% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/openmx.py |
OpenMX.initialize_mpi |
9 |
7 |
0 |
22.22% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/openmx.py |
OpenMX.run |
6 |
2 |
0 |
66.67% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/openmx.py |
OpenMX.run_openmx |
16 |
3 |
0 |
81.25% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/openmx.py |
OpenMX.run_openmx.isRunning |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/openmx.py |
OpenMX.run_mpi |
15 |
15 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/openmx.py |
OpenMX.run_mpi.isRunning |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/openmx.py |
OpenMX.run_pbs |
30 |
30 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/openmx.py |
OpenMX.run_pbs.isRunning |
10 |
10 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/openmx.py |
OpenMX.run_pbs.isRunning.runCmd |
6 |
6 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/openmx.py |
OpenMX.clean |
10 |
10 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/openmx.py |
OpenMX.calculate |
28 |
19 |
0 |
32.14% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/openmx.py |
OpenMX.write_input |
4 |
4 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/openmx.py |
OpenMX.print_input |
13 |
8 |
0 |
38.46% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/openmx.py |
OpenMX.read |
10 |
10 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/openmx.py |
OpenMX.read_version |
8 |
8 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/openmx.py |
OpenMX.update_atoms |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/openmx.py |
OpenMX.set |
29 |
11 |
0 |
62.07% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/openmx.py |
OpenMX.set_results |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/openmx.py |
OpenMX.get_command |
22 |
22 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/openmx.py |
OpenMX.get_stress |
4 |
4 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/openmx.py |
OpenMX.get_band_structure |
4 |
4 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/openmx.py |
OpenMX.get_bz_k_points |
12 |
12 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/openmx.py |
OpenMX.get_ibz_k_points |
3 |
3 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/openmx.py |
OpenMX.get_kpoints |
29 |
29 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/openmx.py |
OpenMX.get_lattice_type |
18 |
18 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/openmx.py |
OpenMX.get_number_of_spins |
14 |
14 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/openmx.py |
OpenMX.get_eigenvalues |
5 |
5 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/openmx.py |
OpenMX.get_fermi_level |
6 |
6 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/openmx.py |
OpenMX.get_number_of_bands |
13 |
13 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/openmx.py |
OpenMX.dirG |
5 |
5 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/openmx.py |
OpenMX.dk |
3 |
3 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/openmx.py |
OpenMX.get_wannier_localization_matrix |
16 |
16 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/openmx.py |
OpenMX.prind |
4 |
1 |
0 |
75.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/openmx.py |
OpenMX.print_file |
15 |
15 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/openmx.py |
(no function) |
55 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/parameters.py |
OpenMXParameters.__init__ |
13 |
5 |
0 |
61.54% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/parameters.py |
(no function) |
19 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/reader.py |
read_openmx |
20 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/reader.py |
read_file |
53 |
7 |
0 |
86.79% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/reader.py |
read_scfout_file |
39 |
33 |
0 |
15.38% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/reader.py |
read_scfout_file.easyReader |
13 |
13 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/reader.py |
read_scfout_file.inte |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/reader.py |
read_scfout_file.floa |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/reader.py |
read_scfout_file.readOverlap |
12 |
12 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/reader.py |
read_scfout_file.readHam |
14 |
14 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/reader.py |
read_band_file |
33 |
30 |
0 |
9.09% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/reader.py |
read_electron_valency |
9 |
9 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/reader.py |
rn |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/reader.py |
read_tuple_integer |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/reader.py |
read_tuple_float |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/reader.py |
read_integer |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/reader.py |
read_float |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/reader.py |
read_string |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/reader.py |
read_bool |
6 |
6 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/reader.py |
read_list_int |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/reader.py |
read_list_float |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/reader.py |
read_list_bool |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/reader.py |
read_matrix |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/reader.py |
read_stress_tensor |
10 |
10 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/reader.py |
read_magmoms_and_total_magmom |
9 |
9 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/reader.py |
read_energy |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/reader.py |
read_energies |
12 |
1 |
0 |
91.67% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/reader.py |
read_eigenvalues |
66 |
2 |
0 |
96.97% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/reader.py |
read_eigenvalues.prind |
2 |
1 |
0 |
50.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/reader.py |
read_forces |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/reader.py |
read_dipole |
5 |
5 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/reader.py |
read_scaled_positions |
9 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/reader.py |
read_chemical_potential |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/reader.py |
get_parameters |
13 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/reader.py |
get_standard_key |
5 |
1 |
0 |
80.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/reader.py |
get_standard_parameters |
13 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/reader.py |
get_atomic_formula |
44 |
9 |
0 |
79.55% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/reader.py |
get_results |
10 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/reader.py |
get_file_name |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/reader.py |
(no function) |
36 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/writer.py |
write_openmx |
12 |
12 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/writer.py |
parameters_to_keywords |
43 |
43 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/writer.py |
parameters_to_keywords.parameter_overwrites |
13 |
13 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/writer.py |
get_species |
3 |
3 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/writer.py |
get_xc |
13 |
13 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/writer.py |
get_vps |
3 |
3 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/writer.py |
get_scf_kgrid |
6 |
6 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/writer.py |
get_definition_of_atomic_species |
17 |
17 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/writer.py |
get_dft_data_year |
7 |
7 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/writer.py |
get_cutoff_radius_and_orbital |
10 |
10 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/writer.py |
get_pseudo_potential_suffix |
7 |
7 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/writer.py |
get_atoms_speciesandcoordinates |
40 |
40 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/writer.py |
get_up_down_spin |
7 |
7 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/writer.py |
get_spin_direction |
4 |
4 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/writer.py |
get_orbital_direction |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/writer.py |
get_noncollinear_switches |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/writer.py |
get_lda_u_switches |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/writer.py |
get_spinpol |
12 |
12 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/writer.py |
get_atoms_unitvectors |
10 |
10 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/writer.py |
get_hubbard_u_values |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/writer.py |
get_atoms_cont_orbitals |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/writer.py |
get_md_fixed_xyz |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/writer.py |
get_md_tempcontrol |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/writer.py |
get_md_init_velocity |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/writer.py |
get_band_kpath_unitcell |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/writer.py |
get_band_kpath |
4 |
4 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/writer.py |
get_mo_kpoint |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/writer.py |
get_wannier_initial_projectors |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/writer.py |
get_kpath |
24 |
24 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/writer.py |
write_string |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/writer.py |
write_tuple_integer |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/writer.py |
write_tuple_float |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/writer.py |
write_tuple_bool |
3 |
3 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/writer.py |
write_integer |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/writer.py |
write_float |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/writer.py |
write_bool |
3 |
3 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/writer.py |
write_list_int |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/writer.py |
write_list_bool |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/writer.py |
write_list_float |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/writer.py |
write_matrix |
7 |
7 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/writer.py |
get_openmx_key |
4 |
4 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/writer.py |
(no function) |
48 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/orca.py |
get_version_from_orca_header |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/orca.py |
OrcaProfile.version |
3 |
3 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/orca.py |
OrcaProfile.get_calculator_command |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/orca.py |
OrcaTemplate.__init__ |
4 |
4 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/orca.py |
OrcaTemplate.execute |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/orca.py |
OrcaTemplate.write_input |
4 |
4 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/orca.py |
OrcaTemplate.read_results |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/orca.py |
OrcaTemplate.load_profile |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/orca.py |
ORCA.__init__ |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/orca.py |
(no function) |
16 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/plumed.py |
restart_from_trajectory |
8 |
1 |
0 |
87.50% |
| /builds/debichem-team/python-ase/ase/calculators/plumed.py |
Plumed.__init__ |
29 |
1 |
0 |
96.55% |
| /builds/debichem-team/python-ase/ase/calculators/plumed.py |
Plumed._get_name |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/plumed.py |
Plumed.calculate |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/plumed.py |
Plumed.compute_energy_and_forces |
9 |
1 |
0 |
88.89% |
| /builds/debichem-team/python-ase/ase/calculators/plumed.py |
Plumed.compute_bias |
24 |
3 |
0 |
87.50% |
| /builds/debichem-team/python-ase/ase/calculators/plumed.py |
Plumed.write_plumed_files |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/plumed.py |
Plumed.read_plumed_files |
18 |
6 |
0 |
66.67% |
| /builds/debichem-team/python-ase/ase/calculators/plumed.py |
Plumed.__enter__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/plumed.py |
Plumed.__exit__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/plumed.py |
(no function) |
18 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/polarizability.py |
StaticPolarizabilityCalculator.__call__ |
0 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/polarizability.py |
(no function) |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/psi4.py |
Psi4.__init__ |
4 |
4 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/psi4.py |
Psi4.set_psi4 |
45 |
45 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/psi4.py |
Psi4.read |
16 |
16 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/psi4.py |
Psi4.calculate |
30 |
30 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/psi4.py |
(no function) |
18 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/qchem.py |
QChem.__init__ |
13 |
4 |
0 |
69.23% |
| /builds/debichem-team/python-ase/ase/calculators/qchem.py |
QChem.read |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/qchem.py |
QChem.read_results |
21 |
21 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/qchem.py |
QChem.write_input |
36 |
12 |
0 |
66.67% |
| /builds/debichem-team/python-ase/ase/calculators/qchem.py |
(no function) |
12 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/qmmm.py |
SimpleQMMM.__init__ |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/qmmm.py |
SimpleQMMM._get_name |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/qmmm.py |
SimpleQMMM.initialize_qm |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/qmmm.py |
SimpleQMMM.calculate |
17 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/qmmm.py |
EIQMMM.__init__ |
12 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/qmmm.py |
EIQMMM._get_name |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/qmmm.py |
EIQMMM.initialize |
18 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/qmmm.py |
EIQMMM.calculate |
23 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/qmmm.py |
wrap |
5 |
3 |
0 |
40.00% |
| /builds/debichem-team/python-ase/ase/calculators/qmmm.py |
Embedding.__init__ |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/qmmm.py |
Embedding.__repr__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/qmmm.py |
Embedding.initialize |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/qmmm.py |
Embedding.update |
48 |
18 |
0 |
62.50% |
| /builds/debichem-team/python-ase/ase/calculators/qmmm.py |
Embedding.get_mm_forces |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/qmmm.py |
combine_lj_lorenz_berthelot |
19 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/qmmm.py |
LJInteractionsGeneral.__init__ |
9 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/qmmm.py |
LJInteractionsGeneral.combine_lj |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/qmmm.py |
LJInteractionsGeneral.calculate |
59 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/qmmm.py |
LJInteractionsGeneral.update |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/qmmm.py |
LJInteractions.__init__ |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/qmmm.py |
LJInteractions.calculate |
20 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/qmmm.py |
RescaledCalculator.__init__ |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/qmmm.py |
RescaledCalculator.calculate |
15 |
4 |
0 |
73.33% |
| /builds/debichem-team/python-ase/ase/calculators/qmmm.py |
ForceConstantCalculator.__init__ |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/qmmm.py |
ForceConstantCalculator.calculate |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/qmmm.py |
ForceQMMM.__init__ |
12 |
1 |
0 |
91.67% |
| /builds/debichem-team/python-ase/ase/calculators/qmmm.py |
ForceQMMM.initialize_qm_buffer_mask |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/qmmm.py |
ForceQMMM.get_qm_cluster |
24 |
3 |
0 |
87.50% |
| /builds/debichem-team/python-ase/ase/calculators/qmmm.py |
ForceQMMM.calculate |
9 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/qmmm.py |
ForceQMMM.get_region_from_masks |
19 |
10 |
0 |
47.37% |
| /builds/debichem-team/python-ase/ase/calculators/qmmm.py |
ForceQMMM.set_masks_from_region |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/qmmm.py |
ForceQMMM.export_extxyz |
9 |
1 |
0 |
88.89% |
| /builds/debichem-team/python-ase/ase/calculators/qmmm.py |
ForceQMMM.import_extxyz |
10 |
1 |
0 |
90.00% |
| /builds/debichem-team/python-ase/ase/calculators/qmmm.py |
(no function) |
57 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/siesta/__init__.py |
(no function) |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/siesta/import_ion_xml.py |
get_ion |
10 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/siesta/import_ion_xml.py |
getNodeText |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/siesta/import_ion_xml.py |
get_data_elements |
17 |
4 |
0 |
76.47% |
| /builds/debichem-team/python-ase/ase/calculators/siesta/import_ion_xml.py |
extract_pao_elements |
27 |
3 |
0 |
88.89% |
| /builds/debichem-team/python-ase/ase/calculators/siesta/import_ion_xml.py |
extract_orbital |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/siesta/import_ion_xml.py |
extract_projector |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/siesta/import_ion_xml.py |
str2float |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/siesta/import_ion_xml.py |
str2int |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/siesta/import_ion_xml.py |
(no function) |
11 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/siesta/parameters.py |
PAOBasisBlock.__init__ |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/siesta/parameters.py |
PAOBasisBlock.script |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/siesta/parameters.py |
Species.__init__ |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/siesta/parameters.py |
format_fdf |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/siesta/parameters.py |
format_value |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/siesta/parameters.py |
format_key |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/siesta/parameters.py |
(no function) |
10 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/siesta/siesta.py |
parse_siesta_version |
5 |
1 |
0 |
80.00% |
| /builds/debichem-team/python-ase/ase/calculators/siesta/siesta.py |
get_siesta_version |
7 |
2 |
0 |
71.43% |
| /builds/debichem-team/python-ase/ase/calculators/siesta/siesta.py |
format_block |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/siesta/siesta.py |
bandpath2bandpoints |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/siesta/siesta.py |
SiestaParameters.__init__ |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/siesta/siesta.py |
_nonpolarized_alias |
4 |
2 |
0 |
50.00% |
| /builds/debichem-team/python-ase/ase/calculators/siesta/siesta.py |
Siesta.__init__ |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/siesta/siesta.py |
Siesta.__getitem__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/siesta/siesta.py |
Siesta.species |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/siesta/siesta.py |
Siesta.set |
46 |
19 |
0 |
58.70% |
| /builds/debichem-team/python-ase/ase/calculators/siesta/siesta.py |
Siesta.set_fdf_arguments |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/siesta/siesta.py |
Siesta.validate_fdf_arguments |
4 |
2 |
0 |
50.00% |
| /builds/debichem-team/python-ase/ase/calculators/siesta/siesta.py |
Siesta.write_input |
16 |
2 |
0 |
87.50% |
| /builds/debichem-team/python-ase/ase/calculators/siesta/siesta.py |
Siesta.read |
6 |
6 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/siesta/siesta.py |
Siesta.getpath |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/siesta/siesta.py |
Siesta.pseudo_qualifier |
3 |
1 |
0 |
66.67% |
| /builds/debichem-team/python-ase/ase/calculators/siesta/siesta.py |
Siesta.read_results |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/siesta/siesta.py |
Siesta.read_ion |
21 |
5 |
0 |
76.19% |
| /builds/debichem-team/python-ase/ase/calculators/siesta/siesta.py |
Siesta.band_structure |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/siesta/siesta.py |
Siesta.get_fermi_level |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/siesta/siesta.py |
Siesta.get_k_point_weights |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/siesta/siesta.py |
Siesta.get_ibz_k_points |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/siesta/siesta.py |
Siesta.get_eigenvalues |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/siesta/siesta.py |
Siesta.get_number_of_spins |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/siesta/siesta.py |
generate_atomic_coordinates |
5 |
3 |
0 |
40.00% |
| /builds/debichem-team/python-ase/ase/calculators/siesta/siesta.py |
generate_atomic_coordinates_zmatrix |
10 |
10 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/siesta/siesta.py |
generate_atomic_coordinates_xyz |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/siesta/siesta.py |
SpeciesInfo.__post_init__ |
39 |
3 |
0 |
92.31% |
| /builds/debichem-team/python-ase/ase/calculators/siesta/siesta.py |
SpeciesInfo.generate_text |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/siesta/siesta.py |
FileInstruction.copy_to |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/siesta/siesta.py |
FileInstruction.symlink_to |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/siesta/siesta.py |
FileInstruction._link |
5 |
1 |
0 |
80.00% |
| /builds/debichem-team/python-ase/ase/calculators/siesta/siesta.py |
FDFWriter.write |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/siesta/siesta.py |
FDFWriter.generate_text |
36 |
3 |
0 |
91.67% |
| /builds/debichem-team/python-ase/ase/calculators/siesta/siesta.py |
FDFWriter.generate_atoms_text |
22 |
6 |
0 |
72.73% |
| /builds/debichem-team/python-ase/ase/calculators/siesta/siesta.py |
FDFWriter.link_pseudos_into_directory |
6 |
1 |
0 |
83.33% |
| /builds/debichem-team/python-ase/ase/calculators/siesta/siesta.py |
var |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/siesta/siesta.py |
block |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/siesta/siesta.py |
(no function) |
90 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/siesta/siesta_lrtddft.py |
SiestaLRTDDFT.__init__ |
12 |
12 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/siesta/siesta_lrtddft.py |
SiestaLRTDDFT.get_ground_state |
8 |
8 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/siesta/siesta_lrtddft.py |
SiestaLRTDDFT.get_polarizability |
17 |
17 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/siesta/siesta_lrtddft.py |
RamanCalculatorInterface.__init__ |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/siesta/siesta_lrtddft.py |
RamanCalculatorInterface.calculate |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/siesta/siesta_lrtddft.py |
pol2cross_sec |
4 |
4 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/siesta/siesta_lrtddft.py |
(no function) |
11 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/singlepoint.py |
SinglePointCalculator.__init__ |
10 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/singlepoint.py |
SinglePointCalculator.__str__ |
7 |
7 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/singlepoint.py |
SinglePointCalculator.get_property |
10 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/singlepoint.py |
SinglePointKPoint.__init__ |
9 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/singlepoint.py |
arrays_to_kpoints |
9 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/singlepoint.py |
SinglePointDFTCalculator.__init__ |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/singlepoint.py |
SinglePointDFTCalculator.get_fermi_level |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/singlepoint.py |
SinglePointDFTCalculator.get_bz_to_ibz_map |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/singlepoint.py |
SinglePointDFTCalculator.get_bz_k_points |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/singlepoint.py |
SinglePointDFTCalculator.get_number_of_spins |
6 |
1 |
0 |
83.33% |
| /builds/debichem-team/python-ase/ase/calculators/singlepoint.py |
SinglePointDFTCalculator.get_number_of_bands |
6 |
2 |
0 |
66.67% |
| /builds/debichem-team/python-ase/ase/calculators/singlepoint.py |
SinglePointDFTCalculator.get_spin_polarized |
4 |
1 |
0 |
75.00% |
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SinglePointDFTCalculator.get_ibz_k_points |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/singlepoint.py |
SinglePointDFTCalculator.get_kpt |
8 |
1 |
0 |
87.50% |
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SinglePointDFTCalculator.get_k_point_weights |
7 |
1 |
0 |
85.71% |
| /builds/debichem-team/python-ase/ase/calculators/singlepoint.py |
SinglePointDFTCalculator.get_occupation_numbers |
5 |
0 |
0 |
100.00% |
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SinglePointDFTCalculator.get_eigenvalues |
4 |
1 |
0 |
75.00% |
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SinglePointDFTCalculator.get_homo_lumo |
9 |
9 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/singlepoint.py |
SinglePointDFTCalculator.get_homo_lumo_by_spin |
17 |
17 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/singlepoint.py |
SinglePointDFTCalculator.properties |
1 |
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propertygetter |
4 |
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100.00% |
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propertygetter.getter |
4 |
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OutputPropertyWrapper.__init__ |
1 |
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100.00% |
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OutputPropertyWrapper.nspins |
1 |
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0 |
100.00% |
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OutputPropertyWrapper.nbands |
1 |
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100.00% |
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OutputPropertyWrapper.nkpts |
1 |
0 |
0 |
100.00% |
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OutputPropertyWrapper._build_eig_occ_array |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/singlepoint.py |
OutputPropertyWrapper.eigenvalues |
1 |
0 |
0 |
100.00% |
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OutputPropertyWrapper.occupations |
1 |
0 |
0 |
100.00% |
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OutputPropertyWrapper.fermi_level |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/singlepoint.py |
OutputPropertyWrapper.kpoint_weights |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/singlepoint.py |
OutputPropertyWrapper.ibz_kpoints |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/singlepoint.py |
OutputPropertyWrapper.properties |
10 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/singlepoint.py |
(no function) |
49 |
0 |
0 |
100.00% |
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actualunixsocketname |
1 |
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100.00% |
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IPIProtocol.__init__ |
7 |
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0 |
100.00% |
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IPIProtocol.__init__.log |
1 |
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100.00% |
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IPIProtocol.sendmsg |
3 |
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IPIProtocol._recvall |
11 |
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0 |
100.00% |
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IPIProtocol.recvmsg |
7 |
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85.71% |
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IPIProtocol.send |
3 |
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0 |
100.00% |
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IPIProtocol.recv |
8 |
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0 |
100.00% |
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IPIProtocol.sendposdata |
9 |
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0 |
100.00% |
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IPIProtocol.recvposdata |
5 |
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0 |
100.00% |
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IPIProtocol.sendrecv_force |
12 |
0 |
0 |
100.00% |
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IPIProtocol.sendforce |
12 |
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0 |
100.00% |
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IPIProtocol.status |
4 |
0 |
0 |
100.00% |
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IPIProtocol.end |
2 |
2 |
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0.00% |
| /builds/debichem-team/python-ase/ase/calculators/socketio.py |
IPIProtocol.recvinit |
5 |
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100.00% |
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IPIProtocol.sendinit |
5 |
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0 |
100.00% |
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IPIProtocol.calculate |
13 |
0 |
0 |
100.00% |
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bind_unixsocket |
10 |
2 |
0 |
80.00% |
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bind_inetsocket |
5 |
0 |
0 |
100.00% |
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FileIOSocketClientLauncher.__init__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/socketio.py |
FileIOSocketClientLauncher.__call__ |
20 |
13 |
0 |
35.00% |
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SocketServer.__init__ |
24 |
2 |
0 |
91.67% |
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SocketServer._accept |
21 |
1 |
0 |
95.24% |
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SocketServer.close |
12 |
1 |
0 |
91.67% |
| /builds/debichem-team/python-ase/ase/calculators/socketio.py |
SocketServer.calculate |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/socketio.py |
SocketClient.__init__ |
20 |
1 |
0 |
95.00% |
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SocketClient.close |
4 |
0 |
0 |
100.00% |
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SocketClient.calculate |
9 |
0 |
0 |
100.00% |
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SocketClient.irun |
4 |
1 |
0 |
75.00% |
| /builds/debichem-team/python-ase/ase/calculators/socketio.py |
SocketClient.irun_rankN |
7 |
7 |
0 |
0.00% |
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SocketClient.irun_rank0 |
32 |
1 |
0 |
96.88% |
| /builds/debichem-team/python-ase/ase/calculators/socketio.py |
SocketClient.run |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/socketio.py |
SocketIOCalculator.__init__ |
13 |
1 |
0 |
92.31% |
| /builds/debichem-team/python-ase/ase/calculators/socketio.py |
SocketIOCalculator.todict |
2 |
2 |
0 |
0.00% |
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SocketIOCalculator.launch_server |
1 |
0 |
0 |
100.00% |
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SocketIOCalculator.calculate |
15 |
1 |
0 |
93.33% |
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SocketIOCalculator.close |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/socketio.py |
PySocketIOClient.__init__ |
1 |
0 |
0 |
100.00% |
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PySocketIOClient.__call__ |
7 |
0 |
0 |
100.00% |
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PySocketIOClient.main |
6 |
0 |
0 |
100.00% |
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(no function) |
66 |
0 |
0 |
100.00% |
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PackedCalculator.unpack_calculator |
0 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/subprocesscalculator.py |
PackedCalculator.calculator |
1 |
0 |
0 |
100.00% |
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NamedPackedCalculator.__init__ |
4 |
0 |
0 |
100.00% |
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NamedPackedCalculator.unpack_calculator |
3 |
0 |
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100.00% |
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NamedPackedCalculator.__repr__ |
1 |
1 |
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0.00% |
| /builds/debichem-team/python-ase/ase/calculators/subprocesscalculator.py |
MPICommand.__init__ |
1 |
0 |
0 |
100.00% |
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MPICommand.python_argv |
1 |
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0 |
100.00% |
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MPICommand.parallel |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/subprocesscalculator.py |
MPICommand.serial |
1 |
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0 |
100.00% |
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MPICommand.execute |
1 |
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0 |
100.00% |
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gpaw_process |
3 |
0 |
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100.00% |
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PythonSubProcessCalculator.__init__ |
6 |
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0 |
100.00% |
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PythonSubProcessCalculator.set |
2 |
1 |
0 |
50.00% |
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PythonSubProcessCalculator.__repr__ |
1 |
1 |
0 |
0.00% |
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PythonSubProcessCalculator.__enter__ |
5 |
0 |
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100.00% |
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PythonSubProcessCalculator.__exit__ |
3 |
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100.00% |
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PythonSubProcessCalculator._run_calculation |
2 |
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100.00% |
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PythonSubProcessCalculator.calculate |
4 |
0 |
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PythonSubProcessCalculator.backend |
1 |
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100.00% |
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Protocol.__init__ |
1 |
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0 |
100.00% |
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Protocol.send |
2 |
0 |
0 |
100.00% |
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Protocol.recv |
5 |
1 |
0 |
80.00% |
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MockMethod.__init__ |
2 |
0 |
0 |
100.00% |
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MockMethod.__call__ |
4 |
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0 |
100.00% |
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ParallelBackendInterface.__init__ |
1 |
0 |
0 |
100.00% |
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ParallelBackendInterface.__getattr__ |
1 |
0 |
0 |
100.00% |
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callmethod |
3 |
0 |
0 |
100.00% |
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callfunction |
1 |
0 |
0 |
100.00% |
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calculate |
4 |
0 |
0 |
100.00% |
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bad_mode |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/subprocesscalculator.py |
parallel_startup |
11 |
4 |
0 |
63.64% |
| /builds/debichem-team/python-ase/ase/calculators/subprocesscalculator.py |
Client.__init__ |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/subprocesscalculator.py |
Client.recv |
6 |
1 |
0 |
83.33% |
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Client.send |
3 |
0 |
0 |
100.00% |
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Client.mainloop |
7 |
0 |
0 |
100.00% |
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Client.process_instruction |
19 |
6 |
0 |
68.42% |
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ParallelDispatch.__init__ |
2 |
0 |
0 |
100.00% |
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ParallelDispatch.call |
3 |
0 |
0 |
100.00% |
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ParallelDispatch.__enter__ |
5 |
0 |
0 |
100.00% |
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ParallelDispatch.__exit__ |
3 |
0 |
0 |
100.00% |
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main |
4 |
0 |
0 |
100.00% |
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(no function) |
64 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/test.py |
make_test_dft_calculation |
4 |
0 |
0 |
100.00% |
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TestCalculator.__init__ |
19 |
0 |
0 |
100.00% |
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TestCalculator.init |
16 |
0 |
0 |
100.00% |
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TestCalculator.get_pseudo_wave_function |
2 |
0 |
0 |
100.00% |
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TestCalculator.get_eigenvalues |
2 |
0 |
0 |
100.00% |
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TestCalculator.get_number_of_bands |
1 |
0 |
0 |
100.00% |
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TestCalculator.get_k_point_weights |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/test.py |
TestCalculator.get_number_of_spins |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/test.py |
TestCalculator.get_fermi_level |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/test.py |
TestCalculator.get_pseudo_density |
10 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/test.py |
TestPotential.calculate |
13 |
13 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/test.py |
FreeElectrons.calculate |
9 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/test.py |
FreeElectrons.get_eigenvalues |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/test.py |
FreeElectrons.get_fermi_level |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/test.py |
FreeElectrons.get_ibz_k_points |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/test.py |
FreeElectrons.get_number_of_spins |
1 |
0 |
0 |
100.00% |
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gradient_test |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/test.py |
(no function) |
29 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/tip3p.py |
TIP3P.__init__ |
4 |
0 |
0 |
100.00% |
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TIP3P.calculate |
62 |
2 |
0 |
96.77% |
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TIP3P.embed |
2 |
0 |
0 |
100.00% |
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TIP3P.check_state |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/tip3p.py |
TIP3P.add_virtual_sites |
1 |
0 |
0 |
100.00% |
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TIP3P.redistribute_forces |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/tip3p.py |
TIP3P.get_virtual_charges |
6 |
0 |
0 |
100.00% |
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PointChargePotential.__init__ |
3 |
0 |
0 |
100.00% |
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PointChargePotential.set_positions |
1 |
0 |
0 |
100.00% |
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PointChargePotential.calculate |
13 |
0 |
0 |
100.00% |
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PointChargePotential.get_forces |
1 |
0 |
0 |
100.00% |
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(no function) |
25 |
0 |
0 |
100.00% |
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TIP4P.__init__ |
5 |
0 |
0 |
100.00% |
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TIP4P.calculate |
44 |
4 |
0 |
90.91% |
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TIP4P.energy_and_forces |
25 |
0 |
0 |
100.00% |
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TIP4P.add_virtual_sites |
15 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/tip4p.py |
TIP4P.get_virtual_charges |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/tip4p.py |
TIP4P.redistribute_forces |
24 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/tip4p.py |
(no function) |
18 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/turbomole/__init__.py |
(no function) |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/turbomole/executor.py |
get_output_filename |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/turbomole/executor.py |
check_bad_output |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/turbomole/executor.py |
execute |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/turbomole/executor.py |
(no function) |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/turbomole/parameters.py |
TurbomoleParameters.__init__ |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/turbomole/parameters.py |
TurbomoleParameters.update |
9 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/turbomole/parameters.py |
TurbomoleParameters.update_data_groups |
47 |
47 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/turbomole/parameters.py |
TurbomoleParameters.update_no_define_parameters |
12 |
12 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/turbomole/parameters.py |
TurbomoleParameters.verify |
20 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/turbomole/parameters.py |
TurbomoleParameters.get_define_str |
87 |
39 |
0 |
55.17% |
| /builds/debichem-team/python-ase/ase/calculators/turbomole/parameters.py |
TurbomoleParameters.read_restart |
79 |
79 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/turbomole/parameters.py |
TurbomoleParameters.update_restart |
5 |
2 |
0 |
60.00% |
| /builds/debichem-team/python-ase/ase/calculators/turbomole/parameters.py |
(no function) |
28 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/turbomole/reader.py |
execute_command |
3 |
3 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/turbomole/reader.py |
read_data_group |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/turbomole/reader.py |
parse_data_group |
22 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/turbomole/reader.py |
read_output |
13 |
13 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/turbomole/reader.py |
read_version |
9 |
9 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/turbomole/reader.py |
read_datetime |
6 |
6 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/turbomole/reader.py |
read_runtime |
6 |
6 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/turbomole/reader.py |
read_hostname |
6 |
6 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/turbomole/reader.py |
read_convergence |
30 |
30 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/turbomole/reader.py |
read_run_parameters |
18 |
18 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/turbomole/reader.py |
read_energy |
18 |
18 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/turbomole/reader.py |
read_occupation_numbers |
21 |
21 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/turbomole/reader.py |
read_mos |
49 |
49 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/turbomole/reader.py |
read_basis_set |
59 |
59 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/turbomole/reader.py |
read_ecps |
67 |
67 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/turbomole/reader.py |
read_forces |
22 |
22 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/turbomole/reader.py |
read_gradient |
50 |
50 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/turbomole/reader.py |
read_hessian |
25 |
25 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/turbomole/reader.py |
read_normal_modes |
27 |
27 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/turbomole/reader.py |
read_vibrational_reduced_masses |
12 |
12 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/turbomole/reader.py |
read_vibrational_spectrum |
25 |
25 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/turbomole/reader.py |
read_ssquare |
6 |
6 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/turbomole/reader.py |
read_dipole_moment |
16 |
16 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/turbomole/reader.py |
read_charges |
12 |
12 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/turbomole/reader.py |
read_point_charges |
8 |
8 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/turbomole/reader.py |
(no function) |
33 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/turbomole/turbomole.py |
TurbomoleOptimizer.__init__ |
3 |
3 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/turbomole/turbomole.py |
TurbomoleOptimizer.todict |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/turbomole/turbomole.py |
TurbomoleOptimizer.run |
9 |
9 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/turbomole/turbomole.py |
Turbomole.__init__ |
19 |
3 |
0 |
84.21% |
| /builds/debichem-team/python-ase/ase/calculators/turbomole/turbomole.py |
Turbomole.__getitem__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/turbomole/turbomole.py |
Turbomole._set_restart |
13 |
13 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/turbomole/turbomole.py |
Turbomole._set_post_define |
9 |
9 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/turbomole/turbomole.py |
Turbomole.set_parameters |
3 |
2 |
0 |
33.33% |
| /builds/debichem-team/python-ase/ase/calculators/turbomole/turbomole.py |
Turbomole.reset |
10 |
1 |
0 |
90.00% |
| /builds/debichem-team/python-ase/ase/calculators/turbomole/turbomole.py |
Turbomole.set_atoms |
19 |
19 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/turbomole/turbomole.py |
Turbomole.initialize |
26 |
26 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/turbomole/turbomole.py |
Turbomole.calculation_required |
8 |
8 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/turbomole/turbomole.py |
Turbomole.calculate |
11 |
11 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/turbomole/turbomole.py |
Turbomole.relax_geometry |
35 |
35 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/turbomole/turbomole.py |
Turbomole.normal_mode_analysis |
42 |
42 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/turbomole/turbomole.py |
Turbomole.read_restart |
4 |
4 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/turbomole/turbomole.py |
Turbomole.read_results |
6 |
6 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/turbomole/turbomole.py |
Turbomole.read_run_parameters |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/turbomole/turbomole.py |
Turbomole.read_energy |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/turbomole/turbomole.py |
Turbomole.read_forces |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/turbomole/turbomole.py |
Turbomole.read_occupation_numbers |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/turbomole/turbomole.py |
Turbomole.read_mos |
3 |
3 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/turbomole/turbomole.py |
Turbomole.read_basis_set |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/turbomole/turbomole.py |
Turbomole.read_ecps |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/turbomole/turbomole.py |
Turbomole.read_gradient |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/turbomole/turbomole.py |
Turbomole.read_hessian |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/turbomole/turbomole.py |
Turbomole.read_normal_modes |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/turbomole/turbomole.py |
Turbomole.read_vibrational_reduced_masses |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/turbomole/turbomole.py |
Turbomole.read_vibrational_spectrum |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/turbomole/turbomole.py |
Turbomole.read_ssquare |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/turbomole/turbomole.py |
Turbomole.read_dipole_moment |
3 |
3 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/turbomole/turbomole.py |
Turbomole.read_charges |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/turbomole/turbomole.py |
Turbomole.get_version |
3 |
3 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/turbomole/turbomole.py |
Turbomole.get_datetime |
3 |
3 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/turbomole/turbomole.py |
Turbomole.get_runtime |
3 |
3 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/turbomole/turbomole.py |
Turbomole.get_hostname |
3 |
3 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/turbomole/turbomole.py |
Turbomole.get_optimizer |
3 |
3 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/turbomole/turbomole.py |
Turbomole.get_results |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/turbomole/turbomole.py |
Turbomole.get_potential_energy |
11 |
11 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/turbomole/turbomole.py |
Turbomole.get_forces |
9 |
9 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/turbomole/turbomole.py |
Turbomole.get_dipole_moment |
3 |
3 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/turbomole/turbomole.py |
Turbomole.get_property |
15 |
15 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/turbomole/turbomole.py |
Turbomole.get_charges |
3 |
3 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/turbomole/turbomole.py |
Turbomole.get_forces_on_point_charges |
7 |
7 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/turbomole/turbomole.py |
Turbomole.set_point_charges |
22 |
22 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/turbomole/turbomole.py |
Turbomole.read_point_charges |
3 |
3 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/turbomole/turbomole.py |
Turbomole.embed |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/turbomole/turbomole.py |
PointChargePotential.__init__ |
4 |
4 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/turbomole/turbomole.py |
PointChargePotential.set_positions |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/turbomole/turbomole.py |
PointChargePotential.set_charges |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/turbomole/turbomole.py |
PointChargePotential.get_forces |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/turbomole/turbomole.py |
(no function) |
90 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/turbomole/writer.py |
add_data_group |
12 |
12 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/turbomole/writer.py |
delete_data_group |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/turbomole/writer.py |
(no function) |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/__init__.py |
(no function) |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/create_input.py |
check_ichain |
10 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/create_input.py |
set_magmom |
25 |
3 |
0 |
88.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/create_input.py |
set_ldau |
15 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/create_input.py |
test_nelect_charge_compitability |
7 |
7 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/create_input.py |
get_pp_setup |
18 |
4 |
0 |
77.78% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/create_input.py |
format_kpoints |
31 |
2 |
0 |
93.55% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/create_input.py |
GenerateVaspInput.__init__ |
33 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/create_input.py |
GenerateVaspInput.set_xc_params |
11 |
3 |
0 |
72.73% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/create_input.py |
GenerateVaspInput.set |
49 |
19 |
0 |
61.22% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/create_input.py |
GenerateVaspInput.check_xc |
12 |
7 |
0 |
41.67% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/create_input.py |
GenerateVaspInput._make_sort |
13 |
1 |
0 |
92.31% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/create_input.py |
GenerateVaspInput._set_spinpol |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/create_input.py |
GenerateVaspInput._build_pp_list |
46 |
25 |
0 |
45.65% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/create_input.py |
GenerateVaspInput.initialize |
18 |
1 |
0 |
94.44% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/create_input.py |
GenerateVaspInput.default_nelect_from_ppp |
11 |
11 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/create_input.py |
GenerateVaspInput.write_input |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/create_input.py |
GenerateVaspInput.copy_vdw_kernel |
12 |
7 |
0 |
41.67% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/create_input.py |
GenerateVaspInput.clean |
6 |
6 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/create_input.py |
GenerateVaspInput.write_incar |
49 |
6 |
0 |
87.76% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/create_input.py |
GenerateVaspInput.write_kpoints |
9 |
4 |
0 |
55.56% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/create_input.py |
GenerateVaspInput.write_potcar |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/create_input.py |
GenerateVaspInput.write_sort_file |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/create_input.py |
GenerateVaspInput.read_incar |
83 |
40 |
0 |
51.81% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/create_input.py |
GenerateVaspInput.read_kpoints |
18 |
18 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/create_input.py |
GenerateVaspInput.read_potcar |
13 |
13 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/create_input.py |
GenerateVaspInput.todict |
6 |
6 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/create_input.py |
_args_without_comment |
4 |
1 |
0 |
75.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/create_input.py |
_from_vasp_bool |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/create_input.py |
_to_vasp_bool |
10 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/create_input.py |
open_potcar |
6 |
3 |
0 |
50.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/create_input.py |
read_potcar_numbers_of_electrons |
8 |
8 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/create_input.py |
count_symbols |
10 |
1 |
0 |
90.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/create_input.py |
(no function) |
59 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/interactive.py |
VaspInteractive.__init__ |
25 |
25 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/interactive.py |
VaspInteractive._stdin |
6 |
6 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/interactive.py |
VaspInteractive._stdout |
4 |
4 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/interactive.py |
VaspInteractive._run_vasp |
18 |
18 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/interactive.py |
VaspInteractive.close |
11 |
11 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/interactive.py |
VaspInteractive.calculate |
8 |
8 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/interactive.py |
VaspInteractive.__del__ |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/interactive.py |
(no function) |
19 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/setups.py |
get_default_setups |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/setups.py |
(no function) |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/vasp.py |
_prohibit_directory_in_label |
3 |
1 |
0 |
66.67% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/vasp.py |
Vasp.__init__ |
19 |
5 |
0 |
73.68% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/vasp.py |
Vasp.make_command |
12 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/vasp.py |
Vasp.set |
18 |
6 |
0 |
66.67% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/vasp.py |
Vasp.reset |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/vasp.py |
Vasp.clear_results |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/vasp.py |
Vasp._txt_outstream |
18 |
5 |
0 |
72.22% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/vasp.py |
Vasp.calculate |
11 |
2 |
0 |
81.82% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/vasp.py |
Vasp._run |
8 |
2 |
0 |
75.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/vasp.py |
Vasp.check_state |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/vasp.py |
Vasp.check_state.compare_dict |
6 |
1 |
0 |
83.33% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/vasp.py |
Vasp._store_param_state |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/vasp.py |
Vasp.asdict |
9 |
2 |
0 |
77.78% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/vasp.py |
Vasp.fromdict |
11 |
11 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/vasp.py |
Vasp.write_json |
3 |
3 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/vasp.py |
Vasp.read_json |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/vasp.py |
Vasp.write_input |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/vasp.py |
Vasp.read |
15 |
15 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/vasp.py |
Vasp._indir |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/vasp.py |
Vasp.read_sort |
11 |
11 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/vasp.py |
Vasp.read_atoms |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/vasp.py |
Vasp.update_atoms |
6 |
6 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/vasp.py |
Vasp.read_results |
15 |
15 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/vasp.py |
Vasp._set_old_keywords |
8 |
8 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/vasp.py |
Vasp.kpts |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/vasp.py |
Vasp.kpts |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/vasp.py |
Vasp.encut |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/vasp.py |
Vasp.encut |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/vasp.py |
Vasp.xc |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/vasp.py |
Vasp.xc |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/vasp.py |
Vasp.atoms |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/vasp.py |
Vasp.atoms |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/vasp.py |
Vasp.load_file |
3 |
3 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/vasp.py |
Vasp.load_file_iter |
3 |
3 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/vasp.py |
Vasp.read_outcar |
12 |
12 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/vasp.py |
Vasp._read_xml |
11 |
11 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/vasp.py |
Vasp._xml_calc |
3 |
3 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/vasp.py |
Vasp._xml_calc |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/vasp.py |
Vasp.get_ibz_k_points |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/vasp.py |
Vasp.get_kpt |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/vasp.py |
Vasp.get_eigenvalues |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/vasp.py |
Vasp.get_fermi_level |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/vasp.py |
Vasp.get_homo_lumo |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/vasp.py |
Vasp.get_homo_lumo_by_spin |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/vasp.py |
Vasp.get_occupation_numbers |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/vasp.py |
Vasp.get_spin_polarized |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/vasp.py |
Vasp.get_number_of_spins |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/vasp.py |
Vasp.get_number_of_bands |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/vasp.py |
Vasp.get_number_of_electrons |
8 |
8 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/vasp.py |
Vasp.get_k_point_weights |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/vasp.py |
Vasp.get_dos |
5 |
5 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/vasp.py |
Vasp.get_version |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/vasp.py |
Vasp.read_version |
7 |
5 |
0 |
28.57% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/vasp.py |
Vasp.get_number_of_iterations |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/vasp.py |
Vasp.read_number_of_iterations |
6 |
6 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/vasp.py |
Vasp.read_number_of_ionic_steps |
6 |
6 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/vasp.py |
Vasp.read_stress |
8 |
8 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/vasp.py |
Vasp.read_ldau |
29 |
29 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/vasp.py |
Vasp.get_xc_functional |
5 |
5 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/vasp.py |
Vasp.read_energy |
16 |
16 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/vasp.py |
Vasp.read_forces |
14 |
14 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/vasp.py |
Vasp.read_fermi |
7 |
7 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/vasp.py |
Vasp.read_dipole |
7 |
7 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/vasp.py |
Vasp.read_mag |
13 |
13 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/vasp.py |
Vasp._read_magnetic_moments |
12 |
1 |
0 |
91.67% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/vasp.py |
Vasp._read_magnetic_moment |
7 |
1 |
0 |
85.71% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/vasp.py |
Vasp.read_nbands |
7 |
7 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/vasp.py |
Vasp.read_convergence |
29 |
8 |
0 |
72.41% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/vasp.py |
Vasp.read_k_point_weights |
10 |
10 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/vasp.py |
Vasp.read_relaxed |
6 |
6 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/vasp.py |
Vasp.read_spinpol |
8 |
8 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/vasp.py |
Vasp.strip_warnings |
3 |
3 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/vasp.py |
Vasp.txt |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/vasp.py |
Vasp.txt |
3 |
1 |
0 |
66.67% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/vasp.py |
Vasp.get_number_of_grid_points |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/vasp.py |
Vasp.get_pseudo_density |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/vasp.py |
Vasp.get_pseudo_wavefunction |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/vasp.py |
Vasp.get_bz_k_points |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/vasp.py |
Vasp.read_vib_freq |
11 |
11 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/vasp.py |
Vasp._read_massweighted_hessian_xml |
32 |
32 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/vasp.py |
Vasp.get_vibrations |
6 |
6 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/vasp.py |
Vasp.get_nonselfconsistent_energies |
11 |
11 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/vasp.py |
check_atoms |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/vasp.py |
check_cell |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/vasp.py |
check_pbc |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/vasp.py |
check_atoms_type |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/vasp.py |
(no function) |
125 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/vasp2.py |
Vasp2.__init__ |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/vasp2.py |
(no function) |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/vasp_auxiliary.py |
get_vasp_version |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/vasp_auxiliary.py |
VaspChargeDensity.__init__ |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/vasp_auxiliary.py |
VaspChargeDensity.is_spin_polarized |
3 |
3 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/vasp_auxiliary.py |
VaspChargeDensity._read_chg |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/vasp_auxiliary.py |
VaspChargeDensity.read |
46 |
25 |
0 |
45.65% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/vasp_auxiliary.py |
VaspChargeDensity._write_chg |
17 |
17 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/vasp_auxiliary.py |
VaspChargeDensity.write |
33 |
33 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/vasp_auxiliary.py |
VaspDos.__init__ |
12 |
12 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/vasp_auxiliary.py |
VaspDos._set_efermi |
7 |
7 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/vasp_auxiliary.py |
VaspDos._get_efermi |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/vasp_auxiliary.py |
VaspDos._get_energy |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/vasp_auxiliary.py |
VaspDos.site_dos |
8 |
8 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/vasp_auxiliary.py |
VaspDos._get_dos |
4 |
4 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/vasp_auxiliary.py |
VaspDos._get_integrated_dos |
4 |
4 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/vasp_auxiliary.py |
VaspDos.read_doscar |
22 |
22 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/vasp_auxiliary.py |
(no function) |
24 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/vasp/vasp_data.py |
(no function) |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/vdwcorrection.py |
get_logging_file_descriptor |
8 |
6 |
0 |
25.00% |
| /builds/debichem-team/python-ase/ase/calculators/vdwcorrection.py |
vdWTkatchenko09prl.__init__ |
26 |
5 |
0 |
80.77% |
| /builds/debichem-team/python-ase/ase/calculators/vdwcorrection.py |
vdWTkatchenko09prl.implemented_properties |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/vdwcorrection.py |
vdWTkatchenko09prl.calculation_required |
6 |
4 |
0 |
33.33% |
| /builds/debichem-team/python-ase/ase/calculators/vdwcorrection.py |
vdWTkatchenko09prl.calculate |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/vdwcorrection.py |
vdWTkatchenko09prl.update |
95 |
8 |
0 |
91.58% |
| /builds/debichem-team/python-ase/ase/calculators/vdwcorrection.py |
vdWTkatchenko09prl.damping |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/vdwcorrection.py |
calculate_ts09_polarizability |
12 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/vdwcorrection.py |
TS09Polarizability.__call__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/calculators/vdwcorrection.py |
(no function) |
26 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cell.py |
Cell.__init__ |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cell.py |
Cell.cellpar |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cell.py |
Cell.todict |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cell.py |
Cell.ascell |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cell.py |
Cell.new |
12 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cell.py |
Cell.fromcellpar |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cell.py |
Cell.get_bravais_lattice |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cell.py |
Cell.bandpath |
10 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cell.py |
Cell.uncomplete |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cell.py |
Cell.complete |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cell.py |
Cell.copy |
1 |
0 |
0 |
100.00% |
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Cell.mask |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cell.py |
Cell.rank |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cell.py |
Cell.orthorhombic |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cell.py |
Cell.lengths |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cell.py |
Cell.angles |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cell.py |
Cell.__array__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cell.py |
Cell.__bool__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cell.py |
Cell.volume |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cell.py |
Cell.handedness |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cell.py |
Cell.scaled_positions |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cell.py |
Cell.cartesian_positions |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cell.py |
Cell.reciprocal |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cell.py |
Cell.normal |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cell.py |
Cell.normals |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cell.py |
Cell.area |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cell.py |
Cell.areas |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cell.py |
Cell.__repr__ |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cell.py |
Cell.niggli_reduce |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cell.py |
Cell.minkowski_reduce |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cell.py |
Cell.permute_axes |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cell.py |
Cell.standard_form |
13 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cell.py |
(no function) |
48 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cli/__init__.py |
(no function) |
0 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cli/band_structure.py |
read_band_structure |
6 |
1 |
0 |
83.33% |
| /builds/debichem-team/python-ase/ase/cli/band_structure.py |
main |
8 |
1 |
0 |
87.50% |
| /builds/debichem-team/python-ase/ase/cli/band_structure.py |
CLICommand.add_arguments |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cli/band_structure.py |
CLICommand.run |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cli/band_structure.py |
(no function) |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cli/build.py |
CLICommand.add_arguments |
16 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cli/build.py |
CLICommand.run |
28 |
12 |
0 |
57.14% |
| /builds/debichem-team/python-ase/ase/cli/build.py |
build_molecule |
41 |
29 |
0 |
29.27% |
| /builds/debichem-team/python-ase/ase/cli/build.py |
build_bulk |
8 |
1 |
0 |
87.50% |
| /builds/debichem-team/python-ase/ase/cli/build.py |
(no function) |
9 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cli/complete.py |
match |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/cli/complete.py |
complete |
32 |
32 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/cli/complete.py |
main |
7 |
7 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/cli/complete.py |
(no function) |
9 |
1 |
0 |
88.89% |
| /builds/debichem-team/python-ase/ase/cli/completion.py |
CLICommand.add_arguments |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cli/completion.py |
CLICommand.run |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/cli/completion.py |
update |
30 |
7 |
0 |
76.67% |
| /builds/debichem-team/python-ase/ase/cli/completion.py |
update.Subparser.__init__ |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cli/completion.py |
update.Subparser.add_argument |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cli/completion.py |
update.Subparser.add_mutually_exclusive_group |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/cli/completion.py |
(no function) |
14 |
2 |
0 |
85.71% |
| /builds/debichem-team/python-ase/ase/cli/convert.py |
CLICommand.add_arguments |
15 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cli/convert.py |
CLICommand.run |
41 |
17 |
0 |
58.54% |
| /builds/debichem-team/python-ase/ase/cli/convert.py |
(no function) |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cli/db.py |
CLICommand.add_arguments |
31 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cli/db.py |
CLICommand.run |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cli/db.py |
(no function) |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cli/diff.py |
CLICommand.add_arguments |
11 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cli/diff.py |
CLICommand.run |
10 |
3 |
0 |
70.00% |
| /builds/debichem-team/python-ase/ase/cli/diff.py |
CLICommand.diff |
58 |
9 |
0 |
84.48% |
| /builds/debichem-team/python-ase/ase/cli/diff.py |
CLICommand.diff.header_fmt |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/cli/diff.py |
(no function) |
10 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cli/dimensionality.py |
CLICommand.add_arguments |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cli/dimensionality.py |
CLICommand.run |
28 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cli/dimensionality.py |
(no function) |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cli/exec.py |
CLICommand.add_arguments |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cli/exec.py |
CLICommand.run |
20 |
2 |
0 |
90.00% |
| /builds/debichem-team/python-ase/ase/cli/exec.py |
(no function) |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cli/find.py |
CLICommand.add_arguments |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cli/find.py |
CLICommand.run |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/cli/find.py |
main |
12 |
12 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/cli/find.py |
allpaths |
15 |
15 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/cli/find.py |
check |
28 |
28 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/cli/find.py |
check.FakeDB.__init__ |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/cli/find.py |
check.FakeDB._read_json |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/cli/find.py |
(no function) |
9 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cli/info.py |
CLICommand.add_arguments |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cli/info.py |
CLICommand.run |
14 |
2 |
0 |
85.71% |
| /builds/debichem-team/python-ase/ase/cli/info.py |
print_file_info |
25 |
8 |
0 |
68.00% |
| /builds/debichem-team/python-ase/ase/cli/info.py |
print_info |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cli/info.py |
print_formats |
16 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cli/info.py |
(no function) |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cli/main.py |
main |
48 |
12 |
0 |
75.00% |
| /builds/debichem-team/python-ase/ase/cli/main.py |
Formatter._fill_text |
12 |
12 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/cli/main.py |
(no function) |
9 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cli/nebplot.py |
CLICommand.add_arguments |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cli/nebplot.py |
CLICommand.run |
9 |
9 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/cli/nebplot.py |
(no function) |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cli/nomad.py |
CLICommand.add_arguments |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cli/nomad.py |
CLICommand.run |
28 |
28 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/cli/nomad.py |
(no function) |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cli/nomadget.py |
CLICommand.add_arguments |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cli/nomadget.py |
CLICommand.run |
9 |
9 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/cli/nomadget.py |
(no function) |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cli/reciprocal.py |
plot_reciprocal_cell |
5 |
1 |
0 |
80.00% |
| /builds/debichem-team/python-ase/ase/cli/reciprocal.py |
read_object |
7 |
2 |
0 |
71.43% |
| /builds/debichem-team/python-ase/ase/cli/reciprocal.py |
obj2bandpath |
19 |
8 |
0 |
57.89% |
| /builds/debichem-team/python-ase/ase/cli/reciprocal.py |
CLICommand.add_arguments |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cli/reciprocal.py |
CLICommand.run |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cli/reciprocal.py |
(no function) |
9 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cli/run.py |
CLICommand.add_arguments |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cli/run.py |
CLICommand.add_more_arguments |
13 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cli/run.py |
CLICommand.run |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cli/run.py |
Runner.__init__ |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cli/run.py |
Runner.parse |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cli/run.py |
Runner.run |
8 |
1 |
0 |
87.50% |
| /builds/debichem-team/python-ase/ase/cli/run.py |
Runner.calculate |
11 |
1 |
0 |
90.91% |
| /builds/debichem-team/python-ase/ase/cli/run.py |
Runner.build |
10 |
2 |
0 |
80.00% |
| /builds/debichem-team/python-ase/ase/cli/run.py |
Runner.set_calculator |
6 |
1 |
0 |
83.33% |
| /builds/debichem-team/python-ase/ase/cli/run.py |
Runner.calculate_once |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cli/run.py |
Runner.optimize |
17 |
5 |
0 |
70.59% |
| /builds/debichem-team/python-ase/ase/cli/run.py |
Runner.eos |
27 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cli/run.py |
Runner.get_filename |
7 |
1 |
0 |
85.71% |
| /builds/debichem-team/python-ase/ase/cli/run.py |
str2dict |
17 |
12 |
0 |
29.41% |
| /builds/debichem-team/python-ase/ase/cli/run.py |
str2dict.myeval |
5 |
5 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/cli/run.py |
(no function) |
22 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cli/template.py |
field_specs_on_conditions |
12 |
3 |
0 |
75.00% |
| /builds/debichem-team/python-ase/ase/cli/template.py |
summary_functions_on_conditions |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cli/template.py |
header_alias |
16 |
4 |
0 |
75.00% |
| /builds/debichem-team/python-ase/ase/cli/template.py |
prec_round |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cli/template.py |
get_field_data |
43 |
3 |
0 |
93.02% |
| /builds/debichem-team/python-ase/ase/cli/template.py |
rmsd |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cli/template.py |
energy_delta |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cli/template.py |
parse_field_specs |
24 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cli/template.py |
MapFormatter.format_field |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cli/template.py |
TableFormat.__init__ |
20 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cli/template.py |
Table.__init__ |
12 |
2 |
0 |
83.33% |
| /builds/debichem-team/python-ase/ase/cli/template.py |
Table.make |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cli/template.py |
Table.make_header |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cli/template.py |
Table.make_summary |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cli/template.py |
Table.make_body |
10 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cli/template.py |
slice_split |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cli/template.py |
(no function) |
29 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cli/ulm.py |
CLICommand.add_arguments |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cli/ulm.py |
CLICommand.run |
7 |
7 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/cli/ulm.py |
(no function) |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cluster/__init__.py |
(no function) |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cluster/base.py |
ClusterBase.get_layer_distance |
79 |
40 |
0 |
49.37% |
| /builds/debichem-team/python-ase/ase/cluster/base.py |
ClusterBase.miller_to_direction |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cluster/base.py |
(no function) |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cluster/cluster.py |
Cluster.copy |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cluster/cluster.py |
Cluster.get_surfaces |
3 |
3 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/cluster/cluster.py |
Cluster.get_layers |
12 |
12 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/cluster/cluster.py |
Cluster.get_diameter |
15 |
15 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/cluster/cluster.py |
(no function) |
14 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cluster/compounds.py |
(no function) |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cluster/cubic.py |
SimpleCubicFactory.get_lattice_constant |
4 |
1 |
0 |
75.00% |
| /builds/debichem-team/python-ase/ase/cluster/cubic.py |
SimpleCubicFactory.set_basis |
5 |
1 |
0 |
80.00% |
| /builds/debichem-team/python-ase/ase/cluster/cubic.py |
(no function) |
19 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cluster/decahedron.py |
Decahedron |
28 |
2 |
0 |
92.86% |
| /builds/debichem-team/python-ase/ase/cluster/decahedron.py |
(no function) |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cluster/factory.py |
ClusterFactory.__call__ |
25 |
7 |
0 |
72.00% |
| /builds/debichem-team/python-ase/ase/cluster/factory.py |
ClusterFactory.make_cluster |
28 |
1 |
0 |
96.43% |
| /builds/debichem-team/python-ase/ase/cluster/factory.py |
ClusterFactory.set_atomic_numbers |
23 |
16 |
0 |
30.43% |
| /builds/debichem-team/python-ase/ase/cluster/factory.py |
ClusterFactory.set_lattice_size |
22 |
2 |
0 |
90.91% |
| /builds/debichem-team/python-ase/ase/cluster/factory.py |
ClusterFactory.set_surfaces_layers |
18 |
1 |
0 |
94.44% |
| /builds/debichem-team/python-ase/ase/cluster/factory.py |
ClusterFactory.get_resiproc_basis |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cluster/factory.py |
cross |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cluster/factory.py |
GCD |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cluster/factory.py |
reduce_miller |
9 |
3 |
0 |
66.67% |
| /builds/debichem-team/python-ase/ase/cluster/factory.py |
(no function) |
20 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cluster/hexagonal.py |
HexagonalFactory.get_lattice_constant |
4 |
4 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/cluster/hexagonal.py |
HexagonalFactory.set_basis |
13 |
5 |
0 |
61.54% |
| /builds/debichem-team/python-ase/ase/cluster/hexagonal.py |
HexagonalFactory.set_surfaces_layers |
7 |
1 |
0 |
85.71% |
| /builds/debichem-team/python-ase/ase/cluster/hexagonal.py |
(no function) |
19 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cluster/icosahedron.py |
Icosahedron |
53 |
1 |
0 |
98.11% |
| /builds/debichem-team/python-ase/ase/cluster/icosahedron.py |
(no function) |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cluster/octahedron.py |
Octahedron |
13 |
3 |
0 |
76.92% |
| /builds/debichem-team/python-ase/ase/cluster/octahedron.py |
(no function) |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cluster/util.py |
get_element_info |
12 |
4 |
0 |
66.67% |
| /builds/debichem-team/python-ase/ase/cluster/util.py |
(no function) |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cluster/wulff.py |
wulff_construction |
91 |
48 |
0 |
47.25% |
| /builds/debichem-team/python-ase/ase/cluster/wulff.py |
make_atoms |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/cluster/wulff.py |
(no function) |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/codes.py |
CodeMetadata.calculator_class |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/codes.py |
CodeMetadata.define_code |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/codes.py |
CodeMetadata._description |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/codes.py |
CodeMetadata.description |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/codes.py |
CodeMetadata.is_legacy_fileio |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/codes.py |
CodeMetadata.is_generic_fileio |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/codes.py |
CodeMetadata.is_calculator_oldbase |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/codes.py |
CodeMetadata.is_base_calculator |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/codes.py |
CodeMetadata.calculator_type |
10 |
1 |
0 |
90.00% |
| /builds/debichem-team/python-ase/ase/codes.py |
CodeMetadata.profile |
10 |
10 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/codes.py |
CodeMetadata._config_description |
21 |
15 |
0 |
28.57% |
| /builds/debichem-team/python-ase/ase/codes.py |
register_codes |
36 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/codes.py |
register_codes.reg |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/codes.py |
list_codes |
11 |
2 |
0 |
81.82% |
| /builds/debichem-team/python-ase/ase/codes.py |
(no function) |
28 |
5 |
0 |
82.14% |
| /builds/debichem-team/python-ase/ase/collections/__init__.py |
(no function) |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/collections/collection.py |
Collection.__init__ |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/collections/collection.py |
Collection.__getitem__ |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/collections/collection.py |
Collection.has |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/collections/collection.py |
Collection.__iter__ |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/collections/collection.py |
Collection.__len__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/collections/collection.py |
Collection.__str__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/collections/collection.py |
Collection.__repr__ |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/collections/collection.py |
Collection.names |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/collections/collection.py |
Collection.data |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/collections/collection.py |
Collection._read |
11 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/collections/collection.py |
(no function) |
16 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/collections/create.py |
dcdft |
28 |
28 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/collections/create.py |
g2 |
9 |
9 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/collections/create.py |
(no function) |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/config.py |
ASEEnvDeprecationWarning.__init__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/config.py |
Config.__init__ |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/config.py |
Config.__init__.argv_converter |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/config.py |
Config._env |
3 |
1 |
0 |
66.67% |
| /builds/debichem-team/python-ase/ase/config.py |
Config.__iter__ |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/config.py |
Config.__getitem__ |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/config.py |
Config.__len__ |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/config.py |
Config.check_calculators |
29 |
29 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/config.py |
Config.check_calculators.tickmark |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/config.py |
Config.print_header |
7 |
1 |
0 |
85.71% |
| /builds/debichem-team/python-ase/ase/config.py |
Config.as_dict |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/config.py |
Config._read_paths |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/config.py |
Config.read |
10 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/config.py |
(no function) |
23 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
dict2constraint |
3 |
1 |
0 |
66.67% |
| /builds/debichem-team/python-ase/ase/constraints.py |
slice2enlist |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
constrained_indices |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixConstraint.index_shuffle |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixConstraint.repeat |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixConstraint.get_removed_dof |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixConstraint.adjust_positions |
0 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixConstraint.adjust_momenta |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixConstraint.adjust_forces |
0 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixConstraint.copy |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixConstraint.todict |
0 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
IndexedConstraint.__init__ |
16 |
2 |
0 |
87.50% |
| /builds/debichem-team/python-ase/ase/constraints.py |
IndexedConstraint.index_shuffle |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
IndexedConstraint.get_indices |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
IndexedConstraint.repeat |
14 |
1 |
0 |
92.86% |
| /builds/debichem-team/python-ase/ase/constraints.py |
IndexedConstraint.delete_atoms |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixAtoms.get_removed_dof |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixAtoms.adjust_positions |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixAtoms.adjust_forces |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixAtoms.__repr__ |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixAtoms.todict |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixCom.get_removed_dof |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixCom.adjust_positions |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixCom.adjust_momenta |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixCom.adjust_forces |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixCom.todict |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixSubsetCom.__init__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixSubsetCom.todict |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
ints2string |
3 |
1 |
0 |
66.67% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixBondLengths.__init__ |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixBondLengths.get_removed_dof |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixBondLengths.adjust_positions |
22 |
2 |
0 |
90.91% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixBondLengths.adjust_momenta |
22 |
1 |
0 |
95.45% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixBondLengths.adjust_forces |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixBondLengths.initialize_bond_lengths |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixBondLengths.get_indices |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixBondLengths.todict |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixBondLengths.index_shuffle |
9 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixBondLength |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixLinearTriatomic.__init__ |
4 |
1 |
0 |
75.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixLinearTriatomic.get_removed_dof |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixLinearTriatomic.n_ind |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixLinearTriatomic.m_ind |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixLinearTriatomic.o_ind |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixLinearTriatomic.initialize |
17 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixLinearTriatomic.adjust_positions |
21 |
1 |
0 |
95.24% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixLinearTriatomic.adjust_momenta |
16 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixLinearTriatomic.adjust_forces |
18 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixLinearTriatomic.redistribute_forces_optimization |
9 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixLinearTriatomic.redistribute_forces_md |
22 |
1 |
0 |
95.45% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixLinearTriatomic.get_slices |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixLinearTriatomic.set_slices |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixLinearTriatomic.initialize_bond_lengths |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixLinearTriatomic.get_indices |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixLinearTriatomic.todict |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixLinearTriatomic.index_shuffle |
9 |
1 |
0 |
88.89% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixedMode.__init__ |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixedMode.get_removed_dof |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixedMode.adjust_positions |
4 |
4 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixedMode.adjust_forces |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixedMode.index_shuffle |
7 |
7 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixedMode.get_indices |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixedMode.todict |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixedMode.__repr__ |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
_normalize |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixedPlane.__init__ |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixedPlane.adjust_positions |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixedPlane.adjust_forces |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixedPlane.get_removed_dof |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixedPlane.todict |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixedPlane.__repr__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
_projection |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixedLine.__init__ |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixedLine.adjust_positions |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixedLine.adjust_forces |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixedLine.get_removed_dof |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixedLine.__repr__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixedLine.todict |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixCartesian.__init__ |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixCartesian.get_removed_dof |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixCartesian.adjust_positions |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixCartesian.adjust_forces |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixCartesian.todict |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixCartesian.__repr__ |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixScaled.__init__ |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixScaled.get_removed_dof |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixScaled.adjust_positions |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixScaled.adjust_forces |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixScaled.todict |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixScaled.__repr__ |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixInternals.__init__ |
22 |
8 |
0 |
63.64% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixInternals.get_removed_dof |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixInternals.initialize |
17 |
2 |
0 |
88.24% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixInternals.get_bondcombo |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixInternals.get_subconstraint |
9 |
1 |
0 |
88.89% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixInternals.shuffle_definitions |
12 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixInternals.shuffle_combos |
16 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixInternals.index_shuffle |
11 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixInternals.get_indices |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixInternals.todict |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixInternals.adjust_positions |
14 |
4 |
0 |
71.43% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixInternals.adjust_forces |
40 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixInternals.__repr__ |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixInternals.FixInternalsBase.__init__ |
9 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixInternals.FixInternalsBase.finalize_jacobian |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixInternals.FixInternalsBase.finalize_positions |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixInternals.FixInternalsBase.adjust_forces |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixInternals.FixBondCombo.get_jacobian |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixInternals.FixBondCombo.setup_jacobian |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixInternals.FixBondCombo.adjust_positions |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixInternals.FixBondCombo.get_value |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixInternals.FixBondCombo.__repr__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixInternals.FixBondLengthAlt.__init__ |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixInternals.FixBondLengthAlt.get_value |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixInternals.FixBondLengthAlt.__repr__ |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixInternals.FixAngle.__init__ |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixInternals.FixAngle.gather_vectors |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixInternals.FixAngle.get_jacobian |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixInternals.FixAngle.setup_jacobian |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixInternals.FixAngle.adjust_positions |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixInternals.FixAngle.get_value |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixInternals.FixAngle.__repr__ |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixInternals.FixDihedral.__init__ |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixInternals.FixDihedral.gather_vectors |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixInternals.FixDihedral.get_jacobian |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixInternals.FixDihedral.setup_jacobian |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixInternals.FixDihedral.adjust_positions |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixInternals.FixDihedral.get_value |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixInternals.FixDihedral.__repr__ |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixParametricRelations.__init__ |
16 |
3 |
0 |
81.25% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixParametricRelations.from_expressions |
43 |
3 |
0 |
93.02% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixParametricRelations.expressions |
25 |
4 |
0 |
84.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixParametricRelations.todict |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixParametricRelations.__repr__ |
9 |
2 |
0 |
77.78% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixScaledParametricRelations.__init__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixScaledParametricRelations.adjust_contravariant |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixScaledParametricRelations.adjust_positions |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixScaledParametricRelations.adjust_B |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixScaledParametricRelations.adjust_momenta |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixScaledParametricRelations.adjust_forces |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixScaledParametricRelations.todict |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixCartesianParametricRelations.__init__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixCartesianParametricRelations.adjust_contravariant |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixCartesianParametricRelations.adjust_positions |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixCartesianParametricRelations.adjust_momenta |
3 |
3 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixCartesianParametricRelations.adjust_forces |
4 |
1 |
0 |
75.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixCartesianParametricRelations.adjust_cell |
3 |
1 |
0 |
66.67% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixCartesianParametricRelations.adjust_stress |
6 |
1 |
0 |
83.33% |
| /builds/debichem-team/python-ase/ase/constraints.py |
Hookean.__init__ |
14 |
4 |
0 |
71.43% |
| /builds/debichem-team/python-ase/ase/constraints.py |
Hookean.get_removed_dof |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
Hookean.todict |
13 |
13 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
Hookean.adjust_positions |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
Hookean.adjust_momenta |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
Hookean.adjust_forces |
25 |
8 |
0 |
68.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
Hookean.adjust_potential_energy |
18 |
4 |
0 |
77.78% |
| /builds/debichem-team/python-ase/ase/constraints.py |
Hookean.get_indices |
6 |
4 |
0 |
33.33% |
| /builds/debichem-team/python-ase/ase/constraints.py |
Hookean.index_shuffle |
18 |
2 |
0 |
88.89% |
| /builds/debichem-team/python-ase/ase/constraints.py |
Hookean.__repr__ |
5 |
5 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
ExternalForce.__init__ |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
ExternalForce.get_removed_dof |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
ExternalForce.adjust_positions |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
ExternalForce.adjust_forces |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
ExternalForce.adjust_potential_energy |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
ExternalForce.index_shuffle |
8 |
8 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
ExternalForce.__repr__ |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
ExternalForce.todict |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
MirrorForce.__init__ |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
MirrorForce.adjust_positions |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
MirrorForce.adjust_forces |
21 |
2 |
0 |
90.48% |
| /builds/debichem-team/python-ase/ase/constraints.py |
MirrorForce.index_shuffle |
8 |
8 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
MirrorForce.__repr__ |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
MirrorForce.todict |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
MirrorTorque.__init__ |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
MirrorTorque.adjust_positions |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
MirrorTorque.adjust_forces |
32 |
2 |
0 |
93.75% |
| /builds/debichem-team/python-ase/ase/constraints.py |
MirrorTorque.index_shuffle |
7 |
7 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
MirrorTorque.__repr__ |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
MirrorTorque.todict |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixSymmetry.__init__ |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixSymmetry.adjust_cell |
12 |
3 |
0 |
75.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixSymmetry.adjust_positions |
5 |
1 |
0 |
80.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixSymmetry.adjust_forces |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixSymmetry.adjust_stress |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixSymmetry.index_shuffle |
11 |
1 |
0 |
90.91% |
| /builds/debichem-team/python-ase/ase/constraints.py |
FixSymmetry.todict |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
Filter.__init__ |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
StrainFilter.__init__ |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
UnitCellFilter.__init__ |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
ExpCellFilter.__init__ |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/constraints.py |
(no function) |
249 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/data/__init__.py |
(no function) |
14 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/data/cccbdb_ip.py |
(no function) |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/data/cohesive_energies.py |
(no function) |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/data/colors.py |
(no function) |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/data/dbh24.py |
create_dbh24_system |
6 |
6 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/data/dbh24.py |
get_dbh24_magmoms |
3 |
3 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/data/dbh24.py |
get_dbh24_charge |
3 |
3 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/data/dbh24.py |
get_dbh24_Vf |
3 |
3 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/data/dbh24.py |
get_dbh24_Vb |
3 |
3 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/data/dbh24.py |
get_dbh24_initial_states |
3 |
3 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/data/dbh24.py |
get_dbh24_final_states |
3 |
3 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/data/dbh24.py |
get_dbh24_tst |
3 |
3 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/data/dbh24.py |
(no function) |
12 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/data/extra_molecules.py |
(no function) |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/data/g2.py |
(no function) |
15 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/data/g2_1.py |
get_ionization_energy |
7 |
7 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/data/g2_1.py |
get_atomization_energy |
10 |
10 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/data/g2_1.py |
(no function) |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/data/g2_2.py |
(no function) |
14 |
1 |
0 |
92.86% |
| /builds/debichem-team/python-ase/ase/data/isotopes.py |
download_isotope_data |
5 |
5 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/data/isotopes.py |
parse_isotope_data |
14 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/data/isotopes.py |
(no function) |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/data/pubchem.py |
PubchemData.__init__ |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/data/pubchem.py |
PubchemData.get_atoms |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/data/pubchem.py |
PubchemData.get_pubchem_data |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/data/pubchem.py |
search_pubchem_raw |
15 |
9 |
0 |
40.00% |
| /builds/debichem-team/python-ase/ase/data/pubchem.py |
parse_pubchem_raw |
25 |
1 |
0 |
96.00% |
| /builds/debichem-team/python-ase/ase/data/pubchem.py |
analyze_input |
11 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/data/pubchem.py |
available_conformer_search |
15 |
8 |
0 |
46.67% |
| /builds/debichem-team/python-ase/ase/data/pubchem.py |
pubchem_search |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/data/pubchem.py |
pubchem_conformer_search |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/data/pubchem.py |
pubchem_atoms_search |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/data/pubchem.py |
pubchem_atoms_conformer_search |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/data/pubchem.py |
(no function) |
23 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/data/s22.py |
create_s22_system |
9 |
5 |
0 |
44.44% |
| /builds/debichem-team/python-ase/ase/data/s22.py |
identify_s22_sys |
18 |
11 |
0 |
38.89% |
| /builds/debichem-team/python-ase/ase/data/s22.py |
get_s22x5_id |
3 |
3 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/data/s22.py |
get_s22_number |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/data/s22.py |
get_interaction_energy_cc |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/data/s22.py |
get_interaction_energy_s22 |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/data/s22.py |
get_interaction_energy_s22x5 |
16 |
16 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/data/s22.py |
get_name |
4 |
4 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/data/s22.py |
get_number_of_dimer_atoms |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/data/s22.py |
get_s22x5_distance |
7 |
7 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/data/s22.py |
(no function) |
15 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/data/vdw.py |
(no function) |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/data/vdw_alvarez.py |
(no function) |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/__init__.py |
(no function) |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/app.py |
DBApp.__init__ |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/app.py |
DBApp.__init__.frontpage |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/app.py |
DBApp.add_project |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/app.py |
DBApp.run_db |
3 |
3 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/db/app.py |
new_app |
18 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/app.py |
new_app.search |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/app.py |
new_app.update |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/app.py |
new_app.row |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/app.py |
new_app.atoms |
17 |
1 |
0 |
94.12% |
| /builds/debichem-team/python-ase/ase/db/app.py |
new_app.gui |
5 |
5 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/db/app.py |
new_app.test |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/db/app.py |
new_app.robots |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/db/app.py |
main |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/db/app.py |
(no function) |
17 |
1 |
0 |
94.12% |
| /builds/debichem-team/python-ase/ase/db/cli.py |
count_keys |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/cli.py |
main |
190 |
87 |
0 |
54.21% |
| /builds/debichem-team/python-ase/ase/db/cli.py |
main.out |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/cli.py |
row2str |
22 |
4 |
0 |
81.82% |
| /builds/debichem-team/python-ase/ase/db/cli.py |
no_progressbar |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/db/cli.py |
check_jsmol |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/cli.py |
(no function) |
18 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/convert.py |
convert |
30 |
30 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/db/convert.py |
main |
7 |
7 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/db/convert.py |
(no function) |
9 |
1 |
0 |
88.89% |
| /builds/debichem-team/python-ase/ase/db/core.py |
KeyDescription.__init__ |
11 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/core.py |
KeyDescription.__repr__ |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/db/core.py |
KeyDescription.__eq__ |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/db/core.py |
KeyDescription.__lt__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/core.py |
get_key_descriptions |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/core.py |
now |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/core.py |
check |
16 |
1 |
0 |
93.75% |
| /builds/debichem-team/python-ase/ase/db/core.py |
str_represents |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/core.py |
connect |
34 |
5 |
0 |
85.29% |
| /builds/debichem-team/python-ase/ase/db/core.py |
lock |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/core.py |
lock.new_method |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/core.py |
convert_str_to_int_float_bool_or_str |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/core.py |
parse_selection |
60 |
11 |
0 |
81.67% |
| /builds/debichem-team/python-ase/ase/db/core.py |
Database.__init__ |
9 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/core.py |
Database.metadata |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/db/core.py |
Database.write |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/core.py |
Database._write |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/core.py |
Database.reserve |
13 |
7 |
0 |
46.15% |
| /builds/debichem-team/python-ase/ase/db/core.py |
Database.reserve.Fake.todict |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/db/core.py |
Database.reserve.Fake.check_state |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/db/core.py |
Database.__delitem__ |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/db/core.py |
Database.get_atoms |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/core.py |
Database.__getitem__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/core.py |
Database.get |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/core.py |
Database.select |
11 |
3 |
0 |
72.73% |
| /builds/debichem-team/python-ase/ase/db/core.py |
Database.count |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/core.py |
Database.__len__ |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/db/core.py |
Database.update |
34 |
4 |
0 |
88.24% |
| /builds/debichem-team/python-ase/ase/db/core.py |
Database.delete |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/db/core.py |
time_string_to_float |
11 |
11 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/db/core.py |
float_to_time_string |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/core.py |
object_to_bytes |
9 |
1 |
0 |
88.89% |
| /builds/debichem-team/python-ase/ase/db/core.py |
bytes_to_object |
6 |
1 |
0 |
83.33% |
| /builds/debichem-team/python-ase/ase/db/core.py |
o2b |
21 |
2 |
0 |
90.48% |
| /builds/debichem-team/python-ase/ase/db/core.py |
b2o |
23 |
1 |
0 |
95.65% |
| /builds/debichem-team/python-ase/ase/db/core.py |
(no function) |
72 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/jsondb.py |
JSONDatabase.__enter__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/jsondb.py |
JSONDatabase.__exit__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/jsondb.py |
JSONDatabase._write |
36 |
2 |
0 |
94.44% |
| /builds/debichem-team/python-ase/ase/db/jsondb.py |
JSONDatabase._read_json |
16 |
3 |
0 |
81.25% |
| /builds/debichem-team/python-ase/ase/db/jsondb.py |
JSONDatabase._write_json |
15 |
1 |
0 |
93.33% |
| /builds/debichem-team/python-ase/ase/db/jsondb.py |
JSONDatabase.delete |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/jsondb.py |
JSONDatabase._get_row |
7 |
2 |
0 |
71.43% |
| /builds/debichem-team/python-ase/ase/db/jsondb.py |
JSONDatabase._select |
54 |
6 |
0 |
88.89% |
| /builds/debichem-team/python-ase/ase/db/jsondb.py |
JSONDatabase._select.f |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/db/jsondb.py |
JSONDatabase.metadata |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/jsondb.py |
JSONDatabase.metadata |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/jsondb.py |
JSONDatabase.get_all_key_names |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/jsondb.py |
(no function) |
24 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/mysql.py |
Connection.__init__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/mysql.py |
Connection.cursor |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/mysql.py |
Connection.commit |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/mysql.py |
Connection.close |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/mysql.py |
Connection.rollback |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/db/mysql.py |
MySQLCursor.__init__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/mysql.py |
MySQLCursor.execute |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/mysql.py |
MySQLCursor.fetchone |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/mysql.py |
MySQLCursor.fetchall |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/mysql.py |
MySQLCursor._replace_nan_inf_kvp |
4 |
1 |
0 |
75.00% |
| /builds/debichem-team/python-ase/ase/db/mysql.py |
MySQLCursor.executemany |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/mysql.py |
MySQLDatabase.__init__ |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/mysql.py |
MySQLDatabase._parse_url |
11 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/mysql.py |
MySQLDatabase._connect |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/mysql.py |
MySQLDatabase._initialize |
24 |
2 |
0 |
91.67% |
| /builds/debichem-team/python-ase/ase/db/mysql.py |
MySQLDatabase.blob |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/mysql.py |
MySQLDatabase.get_offset_string |
5 |
1 |
0 |
80.00% |
| /builds/debichem-team/python-ase/ase/db/mysql.py |
MySQLDatabase.get_last_id |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/mysql.py |
MySQLDatabase.create_select_statement |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/mysql.py |
MySQLDatabase.encode |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/mysql.py |
MySQLDatabase.decode |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/mysql.py |
schema_update |
15 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/mysql.py |
(no function) |
37 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/postgresql.py |
remove_nan_and_inf |
9 |
3 |
0 |
66.67% |
| /builds/debichem-team/python-ase/ase/db/postgresql.py |
insert_nan_and_inf |
7 |
2 |
0 |
71.43% |
| /builds/debichem-team/python-ase/ase/db/postgresql.py |
Connection.__init__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/postgresql.py |
Connection.cursor |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/postgresql.py |
Connection.commit |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/postgresql.py |
Connection.close |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/postgresql.py |
Cursor.__init__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/postgresql.py |
Cursor.fetchone |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/postgresql.py |
Cursor.fetchall |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/postgresql.py |
Cursor.execute |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/postgresql.py |
Cursor.executemany |
9 |
1 |
0 |
88.89% |
| /builds/debichem-team/python-ase/ase/db/postgresql.py |
insert_ase_and_ndarray_objects |
11 |
3 |
0 |
72.73% |
| /builds/debichem-team/python-ase/ase/db/postgresql.py |
PostgreSQLDatabase.encode |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/postgresql.py |
PostgreSQLDatabase.decode |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/postgresql.py |
PostgreSQLDatabase.blob |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/postgresql.py |
PostgreSQLDatabase.deblob |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/postgresql.py |
PostgreSQLDatabase._connect |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/postgresql.py |
PostgreSQLDatabase._initialize |
27 |
3 |
0 |
88.89% |
| /builds/debichem-team/python-ase/ase/db/postgresql.py |
PostgreSQLDatabase.get_offset_string |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/postgresql.py |
PostgreSQLDatabase.get_last_id |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/postgresql.py |
schema_update |
16 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/postgresql.py |
(no function) |
34 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/project.py |
DatabaseProject.__init__ |
11 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/project.py |
DatabaseProject.get_search_template |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/project.py |
DatabaseProject.get_row_template |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/project.py |
DatabaseProject.get_table_template |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/project.py |
DatabaseProject.handle_query |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/project.py |
DatabaseProject.row_to_dict |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/project.py |
DatabaseProject.uid_to_row |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/project.py |
DatabaseProject.dummyproject |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/project.py |
DatabaseProject.dummyproject.DummyDatabase.select |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/db/project.py |
DatabaseProject.dummyproject.DummyDatabase.get_all_key_names |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/project.py |
DatabaseProject.load_db_as_ase_project |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/project.py |
(no function) |
17 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/row.py |
FancyDict.__getattr__ |
6 |
2 |
0 |
66.67% |
| /builds/debichem-team/python-ase/ase/db/row.py |
FancyDict.__dir__ |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/db/row.py |
atoms2dict |
29 |
2 |
0 |
93.10% |
| /builds/debichem-team/python-ase/ase/db/row.py |
AtomsRow.__init__ |
18 |
1 |
0 |
94.44% |
| /builds/debichem-team/python-ase/ase/db/row.py |
AtomsRow.__contains__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/row.py |
AtomsRow.__iter__ |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/db/row.py |
AtomsRow.get |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/row.py |
AtomsRow.key_value_pairs |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/row.py |
AtomsRow.count_atoms |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/row.py |
AtomsRow.__getitem__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/row.py |
AtomsRow.__setitem__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/row.py |
AtomsRow.__str__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/row.py |
AtomsRow.constraints |
12 |
2 |
0 |
83.33% |
| /builds/debichem-team/python-ase/ase/db/row.py |
AtomsRow.data |
6 |
1 |
0 |
83.33% |
| /builds/debichem-team/python-ase/ase/db/row.py |
AtomsRow.natoms |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/row.py |
AtomsRow.formula |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/row.py |
AtomsRow.symbols |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/row.py |
AtomsRow.fmax |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/row.py |
AtomsRow.constrained_forces |
11 |
1 |
0 |
90.91% |
| /builds/debichem-team/python-ase/ase/db/row.py |
AtomsRow.smax |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/row.py |
AtomsRow.mass |
3 |
1 |
0 |
66.67% |
| /builds/debichem-team/python-ase/ase/db/row.py |
AtomsRow.volume |
6 |
1 |
0 |
83.33% |
| /builds/debichem-team/python-ase/ase/db/row.py |
AtomsRow.charge |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/row.py |
AtomsRow.toatoms |
14 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/row.py |
row2dct |
42 |
3 |
0 |
92.86% |
| /builds/debichem-team/python-ase/ase/db/row.py |
(no function) |
52 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/sqlite.py |
float_if_not_none |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/sqlite.py |
SQLite3Database.encode |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/sqlite.py |
SQLite3Database.decode |
5 |
1 |
0 |
80.00% |
| /builds/debichem-team/python-ase/ase/db/sqlite.py |
SQLite3Database.blob |
9 |
1 |
0 |
88.89% |
| /builds/debichem-team/python-ase/ase/db/sqlite.py |
SQLite3Database.deblob |
10 |
1 |
0 |
90.00% |
| /builds/debichem-team/python-ase/ase/db/sqlite.py |
SQLite3Database._connect |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/sqlite.py |
SQLite3Database.__enter__ |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/sqlite.py |
SQLite3Database.__exit__ |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/sqlite.py |
SQLite3Database.managed_connection |
14 |
1 |
0 |
92.86% |
| /builds/debichem-team/python-ase/ase/db/sqlite.py |
SQLite3Database._initialize |
29 |
5 |
0 |
82.76% |
| /builds/debichem-team/python-ase/ase/db/sqlite.py |
SQLite3Database._write |
62 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/sqlite.py |
SQLite3Database._update |
29 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/sqlite.py |
SQLite3Database.get_last_id |
6 |
1 |
0 |
83.33% |
| /builds/debichem-team/python-ase/ase/db/sqlite.py |
SQLite3Database._get_row |
9 |
3 |
0 |
66.67% |
| /builds/debichem-team/python-ase/ase/db/sqlite.py |
SQLite3Database._convert_tuple_to_row |
49 |
7 |
0 |
85.71% |
| /builds/debichem-team/python-ase/ase/db/sqlite.py |
SQLite3Database._old2new |
11 |
5 |
0 |
54.55% |
| /builds/debichem-team/python-ase/ase/db/sqlite.py |
SQLite3Database.create_select_statement |
67 |
9 |
0 |
86.57% |
| /builds/debichem-team/python-ase/ase/db/sqlite.py |
SQLite3Database._select |
51 |
8 |
0 |
84.31% |
| /builds/debichem-team/python-ase/ase/db/sqlite.py |
SQLite3Database.get_offset_string |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/sqlite.py |
SQLite3Database.count |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/sqlite.py |
SQLite3Database.analyse |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/db/sqlite.py |
SQLite3Database.delete |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/sqlite.py |
SQLite3Database._delete |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/sqlite.py |
SQLite3Database.vacuum |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/sqlite.py |
SQLite3Database.metadata |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/sqlite.py |
SQLite3Database.metadata |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/sqlite.py |
SQLite3Database._get_external_table_names |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/sqlite.py |
SQLite3Database._external_table_exists |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/sqlite.py |
SQLite3Database._create_table_if_not_exists |
14 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/sqlite.py |
SQLite3Database.delete_external_table |
10 |
1 |
0 |
90.00% |
| /builds/debichem-team/python-ase/ase/db/sqlite.py |
SQLite3Database._convert_to_recognized_types |
5 |
1 |
0 |
80.00% |
| /builds/debichem-team/python-ase/ase/db/sqlite.py |
SQLite3Database._insert_in_external_table |
18 |
4 |
0 |
77.78% |
| /builds/debichem-team/python-ase/ase/db/sqlite.py |
SQLite3Database._guess_type |
13 |
1 |
0 |
92.31% |
| /builds/debichem-team/python-ase/ase/db/sqlite.py |
SQLite3Database._get_value_type_of_table |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/sqlite.py |
SQLite3Database._read_external_table |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/sqlite.py |
SQLite3Database.get_all_key_names |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/sqlite.py |
(no function) |
72 |
4 |
0 |
94.44% |
| /builds/debichem-team/python-ase/ase/db/table.py |
get_sql_columns |
23 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/table.py |
plural |
3 |
3 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/db/table.py |
cut |
3 |
3 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/db/table.py |
cutlist |
3 |
1 |
0 |
66.67% |
| /builds/debichem-team/python-ase/ase/db/table.py |
Table.__init__ |
10 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/table.py |
Table.select |
17 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/table.py |
Table.format |
9 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/table.py |
Table.write |
18 |
3 |
0 |
83.33% |
| /builds/debichem-team/python-ase/ase/db/table.py |
Table.write_csv |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/table.py |
Row.__init__ |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/table.py |
Row.set_columns |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/table.py |
Row.format |
21 |
4 |
0 |
80.95% |
| /builds/debichem-team/python-ase/ase/db/table.py |
(no function) |
18 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/web.py |
Session.__init__ |
14 |
2 |
0 |
85.71% |
| /builds/debichem-team/python-ase/ase/db/web.py |
Session.__str__ |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/db/web.py |
Session.get |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/web.py |
Session.update |
28 |
16 |
0 |
42.86% |
| /builds/debichem-team/python-ase/ase/db/web.py |
Session.row1 |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/web.py |
Session.row2 |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/web.py |
Session.paginate |
25 |
4 |
0 |
84.00% |
| /builds/debichem-team/python-ase/ase/db/web.py |
Session.create_table |
18 |
6 |
0 |
66.67% |
| /builds/debichem-team/python-ase/ase/db/web.py |
(no function) |
17 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dependencies.py |
format_dependency |
12 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dependencies.py |
all_dependencies |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dependencies.py |
(no function) |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/__init__.py |
get_distribution_moment |
9 |
1 |
0 |
88.89% |
| /builds/debichem-team/python-ase/ase/dft/__init__.py |
(no function) |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/band_structure.py |
(no function) |
7 |
2 |
0 |
71.43% |
| /builds/debichem-team/python-ase/ase/dft/bandgap.py |
get_band_gap |
6 |
6 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/dft/bandgap.py |
GapInfo.__post_init__ |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/bandgap.py |
GapInfo.fromcalc |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/bandgap.py |
GapInfo.gap |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/bandgap.py |
GapInfo.direct_gap |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/bandgap.py |
GapInfo.is_metallic |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/bandgap.py |
GapInfo.gap_is_direct |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/bandgap.py |
GapInfo.description |
20 |
3 |
0 |
85.00% |
| /builds/debichem-team/python-ase/ase/dft/bandgap.py |
GapInfo.description.skn |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/bandgap.py |
bandgap |
23 |
5 |
0 |
78.26% |
| /builds/debichem-team/python-ase/ase/dft/bandgap.py |
_bandgap |
35 |
2 |
0 |
94.29% |
| /builds/debichem-team/python-ase/ase/dft/bandgap.py |
find_gap |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/bandgap.py |
(no function) |
22 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/bee.py |
ensemble |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/bee.py |
BEEFEnsemble.__init__ |
24 |
3 |
0 |
87.50% |
| /builds/debichem-team/python-ase/ase/dft/bee.py |
BEEFEnsemble.get_ensemble_energies |
20 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/bee.py |
BEEFEnsemble.get_beefvdw_ensemble_coefs |
12 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/bee.py |
BEEFEnsemble.get_mbeef_ensemble_coefs |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/bee.py |
BEEFEnsemble.get_mbeefvdw_ensemble_coefs |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/bee.py |
BEEFEnsemble.eigendecomposition |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/bee.py |
BEEFEnsemble.write |
9 |
2 |
0 |
77.78% |
| /builds/debichem-team/python-ase/ase/dft/bee.py |
readbee |
7 |
2 |
0 |
71.43% |
| /builds/debichem-team/python-ase/ase/dft/bee.py |
BEEF_Ensemble |
3 |
3 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/dft/bee.py |
(no function) |
18 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/bz.py |
bz_vertices |
16 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/bz.py |
FlatPlot.new_axes |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/bz.py |
FlatPlot.adjust_view |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/bz.py |
FlatPlot.draw_arrow |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/bz.py |
FlatPlot.label_options |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/bz.py |
FlatPlot.view |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/dft/bz.py |
SpacePlot.__init__ |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/bz.py |
SpacePlot.__init__.Arrow3D.__init__ |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/bz.py |
SpacePlot.__init__.Arrow3D.draw |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/bz.py |
SpacePlot.__init__.Arrow3D.do_3d_projection |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/bz.py |
SpacePlot.new_axes |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/bz.py |
SpacePlot.draw_arrow |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/bz.py |
SpacePlot.adjust_view |
13 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/bz.py |
SpacePlot.label_options |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/bz.py |
normalize_name |
11 |
7 |
0 |
36.36% |
| /builds/debichem-team/python-ase/ase/dft/bz.py |
bz_plot |
74 |
2 |
0 |
97.30% |
| /builds/debichem-team/python-ase/ase/dft/bz.py |
bz_index |
10 |
1 |
0 |
90.00% |
| /builds/debichem-team/python-ase/ase/dft/bz.py |
(no function) |
28 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/dos.py |
DOS.__init__ |
27 |
7 |
0 |
74.07% |
| /builds/debichem-team/python-ase/ase/dft/dos.py |
DOS.get_energies |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/dft/dos.py |
DOS.delta |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/dft/dos.py |
DOS.get_dos |
14 |
14 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/dft/dos.py |
linear_tetrahedron_integration |
18 |
2 |
0 |
88.89% |
| /builds/debichem-team/python-ase/ase/dft/dos.py |
lti_dos |
15 |
1 |
0 |
93.33% |
| /builds/debichem-team/python-ase/ase/dft/dos.py |
lti_dos1 |
45 |
1 |
0 |
97.78% |
| /builds/debichem-team/python-ase/ase/dft/dos.py |
(no function) |
14 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/kpoints.py |
monkhorst_pack |
4 |
1 |
0 |
75.00% |
| /builds/debichem-team/python-ase/ase/dft/kpoints.py |
get_monkhorst_pack_size_and_offset |
14 |
2 |
0 |
85.71% |
| /builds/debichem-team/python-ase/ase/dft/kpoints.py |
mindistance2monkhorstpack |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/kpoints.py |
_mindistance2monkhorstpack |
10 |
2 |
0 |
80.00% |
| /builds/debichem-team/python-ase/ase/dft/kpoints.py |
_mindistance2monkhorstpack.check |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/kpoints.py |
_mindistance2monkhorstpack.generate_mpgrids |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/kpoints.py |
get_monkhorst_shape |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/dft/kpoints.py |
kpoint_convert |
6 |
1 |
0 |
83.33% |
| /builds/debichem-team/python-ase/ase/dft/kpoints.py |
parse_path_string |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/kpoints.py |
resolve_kpt_path_string |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/kpoints.py |
resolve_custom_points |
36 |
3 |
0 |
91.67% |
| /builds/debichem-team/python-ase/ase/dft/kpoints.py |
resolve_custom_points.looks_like_single_kpoint |
7 |
1 |
0 |
85.71% |
| /builds/debichem-team/python-ase/ase/dft/kpoints.py |
resolve_custom_points.name_generator |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/kpoints.py |
normalize_special_points |
8 |
2 |
0 |
75.00% |
| /builds/debichem-team/python-ase/ase/dft/kpoints.py |
BandPath.__init__ |
17 |
3 |
0 |
82.35% |
| /builds/debichem-team/python-ase/ase/dft/kpoints.py |
BandPath.cell |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/kpoints.py |
BandPath.icell |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/kpoints.py |
BandPath.kpts |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/kpoints.py |
BandPath.special_points |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/kpoints.py |
BandPath.path |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/kpoints.py |
BandPath.transform |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/kpoints.py |
BandPath.todict |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/kpoints.py |
BandPath.interpolate |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/kpoints.py |
BandPath._scale |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/kpoints.py |
BandPath.__repr__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/kpoints.py |
BandPath.cartesian_kpts |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/kpoints.py |
BandPath.__iter__ |
6 |
6 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/dft/kpoints.py |
BandPath.__getitem__ |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/dft/kpoints.py |
BandPath.get_linear_kpoint_axis |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/kpoints.py |
BandPath._find_special_point_indices |
12 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/kpoints.py |
BandPath.plot |
16 |
1 |
0 |
93.75% |
| /builds/debichem-team/python-ase/ase/dft/kpoints.py |
BandPath.free_electron_band_structure |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/kpoints.py |
bandpath |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/kpoints.py |
paths2kpts |
34 |
3 |
0 |
91.18% |
| /builds/debichem-team/python-ase/ase/dft/kpoints.py |
find_bandpath_kinks |
9 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/kpoints.py |
labels_from_kpts |
16 |
16 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/dft/kpoints.py |
indices_to_axis_coords |
12 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/kpoints.py |
get_special_points |
6 |
2 |
0 |
66.67% |
| /builds/debichem-team/python-ase/ase/dft/kpoints.py |
monkhorst_pack_interpolate |
14 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/kpoints.py |
(no function) |
62 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/pars_beefvdw.py |
(no function) |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/pars_mbeef.py |
(no function) |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/pars_mbeefvdw.py |
(no function) |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/stm.py |
STM.__init__ |
11 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/stm.py |
STM.calculate_ldos |
36 |
2 |
0 |
94.44% |
| /builds/debichem-team/python-ase/ase/dft/stm.py |
STM.write |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/stm.py |
STM.get_averaged_current |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/stm.py |
STM.scan |
14 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/stm.py |
STM.scan2 |
14 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/stm.py |
STM.linescan |
14 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/stm.py |
STM.pointcurrent |
15 |
15 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/dft/stm.py |
STM.sts |
7 |
7 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/dft/stm.py |
STM.find_current |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/stm.py |
dos2current |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/stm.py |
interpolate |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/stm.py |
find_height |
10 |
2 |
0 |
80.00% |
| /builds/debichem-team/python-ase/ase/dft/stm.py |
delta |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/dft/stm.py |
(no function) |
17 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/wannier.py |
silent |
0 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/wannier.py |
gram_schmidt |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/wannier.py |
lowdin |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/wannier.py |
neighbor_k_search |
6 |
1 |
0 |
83.33% |
| /builds/debichem-team/python-ase/ase/dft/wannier.py |
calculate_weights |
18 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/wannier.py |
steepest_descent |
10 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/wannier.py |
md_min |
25 |
3 |
0 |
88.00% |
| /builds/debichem-team/python-ase/ase/dft/wannier.py |
rotation_from_projection |
18 |
1 |
0 |
94.44% |
| /builds/debichem-team/python-ase/ase/dft/wannier.py |
search_for_gamma_point |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/wannier.py |
scdm |
12 |
12 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/dft/wannier.py |
arbitrary_s_orbitals |
15 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/wannier.py |
init_orbitals |
14 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/wannier.py |
square_modulus_of_Z_diagonal |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/wannier.py |
get_kklst |
20 |
2 |
0 |
90.00% |
| /builds/debichem-team/python-ase/ase/dft/wannier.py |
get_invkklst |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/wannier.py |
choose_states |
29 |
19 |
0 |
34.48% |
| /builds/debichem-team/python-ase/ase/dft/wannier.py |
get_eigenvalues |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/wannier.py |
CalcData.__init__ |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/wannier.py |
CalcData.nbands |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/wannier.py |
get_calcdata |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/wannier.py |
Wannier.__init__ |
29 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/wannier.py |
Wannier.atoms |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/wannier.py |
Wannier.kpt_kc |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/wannier.py |
Wannier.Ndir |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/wannier.py |
Wannier.Nk |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/wannier.py |
Wannier.new_Z |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/wannier.py |
Wannier.unitcell_cc |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/wannier.py |
Wannier.U_kww |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/wannier.py |
Wannier.C_kul |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/wannier.py |
Wannier.initialize |
19 |
8 |
0 |
57.89% |
| /builds/debichem-team/python-ase/ase/dft/wannier.py |
Wannier.save |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/wannier.py |
Wannier.update |
9 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/wannier.py |
Wannier.get_optimal_nwannier |
24 |
24 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/dft/wannier.py |
Wannier.get_centers |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/wannier.py |
Wannier.get_radii |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/dft/wannier.py |
Wannier.get_spreads |
4 |
4 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/dft/wannier.py |
Wannier.get_spectral_weight |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/wannier.py |
Wannier.get_pdos |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/wannier.py |
Wannier.translate |
3 |
3 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/dft/wannier.py |
Wannier.translate_to_cell |
3 |
3 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/dft/wannier.py |
Wannier.translate_all_to_cell |
5 |
5 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/dft/wannier.py |
Wannier.distances |
8 |
8 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/dft/wannier.py |
Wannier._get_hopping |
6 |
6 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/dft/wannier.py |
Wannier.get_hopping |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/dft/wannier.py |
Wannier.get_hamiltonian |
3 |
3 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/dft/wannier.py |
Wannier.get_hamiltonian_kpoint |
13 |
13 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/dft/wannier.py |
Wannier.get_function |
20 |
20 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/dft/wannier.py |
Wannier.write_cube |
14 |
14 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/dft/wannier.py |
Wannier.localize |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/dft/wannier.py |
Wannier.get_functional_value |
7 |
3 |
0 |
57.14% |
| /builds/debichem-team/python-ase/ase/dft/wannier.py |
Wannier.get_gradients |
46 |
46 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/dft/wannier.py |
Wannier.get_gradients.variance_term_computer |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/dft/wannier.py |
Wannier._spread_contributions |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/wannier.py |
Wannier.step |
24 |
24 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/dft/wannier.py |
(no function) |
76 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/wannierstate.py |
random_orthogonal_matrix |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/wannierstate.py |
_empty |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/wannierstate.py |
WannierSpec.__init__ |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/wannierstate.py |
WannierSpec._zeros |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/wannierstate.py |
WannierSpec.bloch |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/wannierstate.py |
WannierSpec.random |
8 |
8 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/dft/wannierstate.py |
WannierSpec.initial_orbitals |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/dft/wannierstate.py |
WannierSpec.initial_wannier |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/dft/wannierstate.py |
WannierSpec.scdm |
9 |
9 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/dft/wannierstate.py |
WannierState.__init__ |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/wannierstate.py |
(no function) |
14 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dimer.py |
DimerControl.__init__ |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/dimer.py |
MinModeAtoms.__init__ |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/dimer.py |
MinModeTranslate.__init__ |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/dimer.py |
(no function) |
13 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dyneb.py |
DyNEB.__init__ |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/dyneb.py |
(no function) |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/eos.py |
taylor |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/eos.py |
murnaghan |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/eos.py |
birch |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/eos.py |
birchmurnaghan |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/eos.py |
check_birchmurnaghan |
9 |
9 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/eos.py |
pouriertarantola |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/eos.py |
vinet |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/eos.py |
antonschmidt |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/eos.py |
p3 |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/eos.py |
parabola |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/eos.py |
EquationOfState.__init__ |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/eos.py |
EquationOfState.fit |
36 |
2 |
0 |
94.44% |
| /builds/debichem-team/python-ase/ase/eos.py |
EquationOfState.getplotdata |
7 |
7 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/eos.py |
EquationOfState.plot |
9 |
9 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/eos.py |
EquationOfState.fit_sjeos |
14 |
1 |
0 |
92.86% |
| /builds/debichem-team/python-ase/ase/eos.py |
plot |
16 |
16 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/eos.py |
calculate_eos |
23 |
1 |
0 |
95.65% |
| /builds/debichem-team/python-ase/ase/eos.py |
CLICommand.add_arguments |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/eos.py |
CLICommand.run |
23 |
23 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/eos.py |
(no function) |
27 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/filters.py |
OptimizableFilter.__init__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/filters.py |
OptimizableFilter.get_positions |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/filters.py |
OptimizableFilter.set_positions |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/filters.py |
OptimizableFilter.get_forces |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/filters.py |
OptimizableFilter._use_force_consistent_energy |
5 |
2 |
0 |
60.00% |
| /builds/debichem-team/python-ase/ase/filters.py |
OptimizableFilter.get_potential_energy |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/filters.py |
OptimizableFilter.__len__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/filters.py |
OptimizableFilter.iterimages |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/filters.py |
Filter.__init__ |
12 |
2 |
0 |
83.33% |
| /builds/debichem-team/python-ase/ase/filters.py |
Filter.iterimages |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/filters.py |
Filter.get_cell |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/filters.py |
Filter.get_pbc |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/filters.py |
Filter.get_positions |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/filters.py |
Filter.set_positions |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/filters.py |
Filter.get_momenta |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/filters.py |
Filter.set_momenta |
3 |
3 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/filters.py |
Filter.get_atomic_numbers |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/filters.py |
Filter.set_atomic_numbers |
3 |
3 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/filters.py |
Filter.get_tags |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/filters.py |
Filter.set_tags |
3 |
3 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/filters.py |
Filter.get_forces |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/filters.py |
Filter.get_stress |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/filters.py |
Filter.get_stresses |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/filters.py |
Filter.get_masses |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/filters.py |
Filter.get_potential_energy |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/filters.py |
Filter.get_chemical_symbols |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/filters.py |
Filter.get_initial_magnetic_moments |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/filters.py |
Filter.get_calculator |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/filters.py |
Filter.calc |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/filters.py |
Filter.get_celldisp |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/filters.py |
Filter.has |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/filters.py |
Filter.__len__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/filters.py |
Filter.__getitem__ |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/filters.py |
Filter.__ase_optimizable__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/filters.py |
StrainFilter.__init__ |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/filters.py |
StrainFilter.get_positions |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/filters.py |
StrainFilter.set_positions |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/filters.py |
StrainFilter.get_forces |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/filters.py |
StrainFilter.has |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/filters.py |
StrainFilter.__len__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/filters.py |
UnitCellFilter.__init__ |
22 |
4 |
0 |
81.82% |
| /builds/debichem-team/python-ase/ase/filters.py |
UnitCellFilter.deform_grad |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/filters.py |
UnitCellFilter.get_positions |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/filters.py |
UnitCellFilter.set_positions |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/filters.py |
UnitCellFilter.get_potential_energy |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/filters.py |
UnitCellFilter.get_forces |
21 |
2 |
0 |
90.48% |
| /builds/debichem-team/python-ase/ase/filters.py |
UnitCellFilter.get_stress |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/filters.py |
UnitCellFilter.has |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/filters.py |
UnitCellFilter.__len__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/filters.py |
FrechetCellFilter.__init__ |
9 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/filters.py |
FrechetCellFilter.get_positions |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/filters.py |
FrechetCellFilter.set_positions |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/filters.py |
FrechetCellFilter.get_forces |
31 |
2 |
0 |
93.55% |
| /builds/debichem-team/python-ase/ase/filters.py |
ExpCellFilter.__init__ |
8 |
1 |
0 |
87.50% |
| /builds/debichem-team/python-ase/ase/filters.py |
ExpCellFilter.get_forces |
34 |
3 |
0 |
91.18% |
| /builds/debichem-team/python-ase/ase/filters.py |
(no function) |
73 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/formula.py |
Formula.__init__ |
14 |
1 |
0 |
92.86% |
| /builds/debichem-team/python-ase/ase/formula.py |
Formula.convert |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/formula.py |
Formula.count |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/formula.py |
Formula.reduce |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/formula.py |
Formula.stoichiometry |
9 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/formula.py |
Formula.format |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/formula.py |
Formula.__format__ |
45 |
2 |
0 |
95.56% |
| /builds/debichem-team/python-ase/ase/formula.py |
Formula.from_dict |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/formula.py |
Formula.from_list |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/formula.py |
Formula.__len__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/formula.py |
Formula.__getitem__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/formula.py |
Formula.__contains__ |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/formula.py |
Formula.__eq__ |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/formula.py |
Formula.__add__ |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/formula.py |
Formula.__radd__ |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/formula.py |
Formula.__mul__ |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/formula.py |
Formula.__rmul__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/formula.py |
Formula.__divmod__ |
10 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/formula.py |
Formula.__rdivmod__ |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/formula.py |
Formula.__mod__ |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/formula.py |
Formula.__rmod__ |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/formula.py |
Formula.__floordiv__ |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/formula.py |
Formula.__rfloordiv__ |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/formula.py |
Formula.__iter__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/formula.py |
Formula._tree_iter |
10 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/formula.py |
Formula.__str__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/formula.py |
Formula.__repr__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/formula.py |
Formula._reduce |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/formula.py |
Formula._tostr |
9 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/formula.py |
dict2str |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/formula.py |
parse |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/formula.py |
parse2 |
28 |
1 |
0 |
96.43% |
| /builds/debichem-team/python-ase/ase/formula.py |
strip_number |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/formula.py |
tree2str |
11 |
3 |
0 |
72.73% |
| /builds/debichem-team/python-ase/ase/formula.py |
count_tree |
11 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/formula.py |
periodic_table_order |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/formula.py |
formula_hill |
5 |
5 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/formula.py |
formula_metal |
5 |
5 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/formula.py |
(no function) |
49 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/__init__.py |
set_raw_score |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/__init__.py |
get_raw_score |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/__init__.py |
set_parametrization |
3 |
3 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/__init__.py |
get_parametrization |
3 |
3 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/__init__.py |
set_neighbor_list |
3 |
3 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/__init__.py |
get_neighbor_list |
3 |
3 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/__init__.py |
(no function) |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/bulk_crossovers.py |
(no function) |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/bulk_mutations.py |
(no function) |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/bulk_startgenerator.py |
(no function) |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/bulk_utilities.py |
(no function) |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/convergence.py |
Convergence.__init__ |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/convergence.py |
Convergence.converged |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/convergence.py |
Convergence.populate_pops |
3 |
3 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/convergence.py |
GenerationRepetitionConvergence.__init__ |
4 |
4 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/convergence.py |
GenerationRepetitionConvergence.converged |
20 |
20 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/convergence.py |
RawScoreConvergence.__init__ |
3 |
3 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/convergence.py |
RawScoreConvergence.converged |
4 |
4 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/convergence.py |
NeverConvergence.__init__ |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/convergence.py |
NeverConvergence.converged |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/convergence.py |
(no function) |
14 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/cutandsplicepairing.py |
Positions.__init__ |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/cutandsplicepairing.py |
Positions.to_use |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/cutandsplicepairing.py |
CutAndSplicePairing.__init__ |
15 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/cutandsplicepairing.py |
CutAndSplicePairing.update_scaling_volume |
8 |
8 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/cutandsplicepairing.py |
CutAndSplicePairing.get_new_individual |
8 |
1 |
0 |
87.50% |
| /builds/debichem-team/python-ase/ase/ga/cutandsplicepairing.py |
CutAndSplicePairing.cross |
65 |
9 |
0 |
86.15% |
| /builds/debichem-team/python-ase/ase/ga/cutandsplicepairing.py |
CutAndSplicePairing.generate_unit_cell |
25 |
3 |
0 |
88.00% |
| /builds/debichem-team/python-ase/ase/ga/cutandsplicepairing.py |
CutAndSplicePairing._get_pairing |
68 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/cutandsplicepairing.py |
(no function) |
15 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/data.py |
split_description |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/data.py |
test_raw_score |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/data.py |
DataConnection.__init__ |
5 |
1 |
0 |
80.00% |
| /builds/debichem-team/python-ase/ase/ga/data.py |
DataConnection.get_number_of_unrelaxed_candidates |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/data.py |
DataConnection.get_an_unrelaxed_candidate |
8 |
1 |
0 |
87.50% |
| /builds/debichem-team/python-ase/ase/ga/data.py |
DataConnection.get_all_unrelaxed_candidates |
11 |
11 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/data.py |
DataConnection.__get_ids_of_all_unrelaxed_candidates__ |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/data.py |
DataConnection.__get_latest_traj_for_confid__ |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/data.py |
DataConnection.mark_as_queued |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/data.py |
DataConnection.add_relaxed_step |
12 |
2 |
0 |
83.33% |
| /builds/debichem-team/python-ase/ase/ga/data.py |
DataConnection.add_relaxed_candidate |
12 |
2 |
0 |
83.33% |
| /builds/debichem-team/python-ase/ase/ga/data.py |
DataConnection.add_more_relaxed_steps |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/data.py |
DataConnection.add_more_relaxed_candidates |
16 |
2 |
0 |
87.50% |
| /builds/debichem-team/python-ase/ase/ga/data.py |
DataConnection.get_next_id |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/data.py |
DataConnection.get_largest_in_db |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/data.py |
DataConnection.add_unrelaxed_candidate |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/data.py |
DataConnection.add_unrelaxed_step |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/data.py |
DataConnection.get_number_of_atoms_to_optimize |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/data.py |
DataConnection.get_atom_numbers_to_optimize |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/data.py |
DataConnection.get_slab |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/data.py |
DataConnection.get_participation_in_pairing |
13 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/data.py |
DataConnection.get_all_relaxed_candidates |
13 |
1 |
0 |
92.31% |
| /builds/debichem-team/python-ase/ase/ga/data.py |
DataConnection.get_all_relaxed_candidates_after_generation |
10 |
10 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/data.py |
DataConnection.get_all_candidates_in_queue |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/data.py |
DataConnection.remove_from_queue |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/data.py |
DataConnection.get_generation_number |
12 |
8 |
0 |
33.33% |
| /builds/debichem-team/python-ase/ase/ga/data.py |
DataConnection.get_atoms |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/data.py |
DataConnection.get_param |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/data.py |
DataConnection.remove_old_queued |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/data.py |
DataConnection.is_duplicate |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/data.py |
DataConnection.kill_candidate |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/data.py |
PrepareDB.__init__ |
8 |
1 |
0 |
87.50% |
| /builds/debichem-team/python-ase/ase/ga/data.py |
PrepareDB.add_unrelaxed_candidate |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/data.py |
PrepareDB.add_relaxed_candidate |
7 |
1 |
0 |
85.71% |
| /builds/debichem-team/python-ase/ase/ga/data.py |
(no function) |
40 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/element_crossovers.py |
ElementCrossover.__init__ |
17 |
5 |
0 |
70.59% |
| /builds/debichem-team/python-ase/ase/ga/element_crossovers.py |
ElementCrossover.get_new_individual |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/element_crossovers.py |
OnePointElementCrossover.__init__ |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/element_crossovers.py |
OnePointElementCrossover.get_new_individual |
37 |
7 |
0 |
81.08% |
| /builds/debichem-team/python-ase/ase/ga/element_crossovers.py |
TwoPointElementCrossover.__init__ |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/element_crossovers.py |
TwoPointElementCrossover.get_new_individual |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/element_crossovers.py |
(no function) |
11 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/element_mutations.py |
chunks |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/element_mutations.py |
ElementMutation.__init__ |
17 |
2 |
0 |
88.24% |
| /builds/debichem-team/python-ase/ase/ga/element_mutations.py |
ElementMutation.get_new_individual |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/element_mutations.py |
ElementMutation.get_mutation_index_list_and_choices |
32 |
2 |
0 |
93.75% |
| /builds/debichem-team/python-ase/ase/ga/element_mutations.py |
RandomElementMutation.__init__ |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/element_mutations.py |
RandomElementMutation.get_new_individual |
10 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/element_mutations.py |
mendeleiev_table |
12 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/element_mutations.py |
get_row_column |
9 |
1 |
0 |
88.89% |
| /builds/debichem-team/python-ase/ase/ga/element_mutations.py |
get_periodic_table_distance |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/element_mutations.py |
MoveDownMutation.__init__ |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/element_mutations.py |
MoveDownMutation.get_new_individual |
31 |
9 |
0 |
70.97% |
| /builds/debichem-team/python-ase/ase/ga/element_mutations.py |
MoveUpMutation.__init__ |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/element_mutations.py |
MoveUpMutation.get_new_individual |
31 |
9 |
0 |
70.97% |
| /builds/debichem-team/python-ase/ase/ga/element_mutations.py |
MoveRightMutation.__init__ |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/element_mutations.py |
MoveRightMutation.get_new_individual |
31 |
9 |
0 |
70.97% |
| /builds/debichem-team/python-ase/ase/ga/element_mutations.py |
MoveLeftMutation.__init__ |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/element_mutations.py |
MoveLeftMutation.get_new_individual |
31 |
11 |
0 |
64.52% |
| /builds/debichem-team/python-ase/ase/ga/element_mutations.py |
FullElementMutation.__init__ |
5 |
5 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/element_mutations.py |
FullElementMutation.get_new_individual |
16 |
16 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/element_mutations.py |
(no function) |
29 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/multiprocessingrun.py |
MultiprocessingRun.__init__ |
5 |
5 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/multiprocessingrun.py |
MultiprocessingRun.relax |
5 |
5 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/multiprocessingrun.py |
MultiprocessingRun._cleanup |
6 |
6 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/multiprocessingrun.py |
MultiprocessingRun.finish_all |
3 |
3 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/multiprocessingrun.py |
(no function) |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/offspring_creator.py |
OffspringCreator.__init__ |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/offspring_creator.py |
OffspringCreator.get_min_inputs |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/offspring_creator.py |
OffspringCreator.get_new_individual |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/offspring_creator.py |
OffspringCreator.finalize_individual |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/offspring_creator.py |
OffspringCreator.initialize_individual |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/offspring_creator.py |
OperationSelector.__init__ |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/offspring_creator.py |
OperationSelector.__get_index__ |
4 |
4 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/offspring_creator.py |
OperationSelector.get_new_individual |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/offspring_creator.py |
OperationSelector.get_operator |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/offspring_creator.py |
CombinationMutation.__init__ |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/offspring_creator.py |
CombinationMutation.get_new_individual |
7 |
1 |
0 |
85.71% |
| /builds/debichem-team/python-ase/ase/ga/offspring_creator.py |
CombinationMutation.mutate |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/offspring_creator.py |
(no function) |
18 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/ofp_comparator.py |
OFPComparator.__init__ |
20 |
7 |
0 |
65.00% |
| /builds/debichem-team/python-ase/ase/ga/ofp_comparator.py |
OFPComparator.looks_like |
9 |
4 |
0 |
55.56% |
| /builds/debichem-team/python-ase/ase/ga/ofp_comparator.py |
OFPComparator._json_encode |
14 |
3 |
0 |
78.57% |
| /builds/debichem-team/python-ase/ase/ga/ofp_comparator.py |
OFPComparator._json_decode |
14 |
14 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/ofp_comparator.py |
OFPComparator._compare_structure |
21 |
7 |
0 |
66.67% |
| /builds/debichem-team/python-ase/ase/ga/ofp_comparator.py |
OFPComparator._get_volume |
56 |
46 |
0 |
17.86% |
| /builds/debichem-team/python-ase/ase/ga/ofp_comparator.py |
OFPComparator._take_fingerprints |
45 |
7 |
0 |
84.44% |
| /builds/debichem-team/python-ase/ase/ga/ofp_comparator.py |
OFPComparator._take_fingerprints.surface_area_0d |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/ofp_comparator.py |
OFPComparator._take_fingerprints.surface_area_1d |
5 |
5 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/ofp_comparator.py |
OFPComparator._take_fingerprints.surface_area_2d |
4 |
4 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/ofp_comparator.py |
OFPComparator._take_fingerprints.surface_area_3d |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/ofp_comparator.py |
OFPComparator._take_fingerprints.take_individual_rdf |
27 |
6 |
0 |
77.78% |
| /builds/debichem-team/python-ase/ase/ga/ofp_comparator.py |
OFPComparator._calculate_local_orders |
13 |
13 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/ofp_comparator.py |
OFPComparator.get_local_orders |
8 |
8 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/ofp_comparator.py |
OFPComparator._cosine_distance |
21 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/ofp_comparator.py |
OFPComparator.plot_fingerprints |
13 |
13 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/ofp_comparator.py |
OFPComparator.plot_individual_fingerprints |
14 |
14 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/ofp_comparator.py |
(no function) |
20 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/parallellocalrun.py |
ParallelLocalRun.__init__ |
5 |
5 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/parallellocalrun.py |
ParallelLocalRun.get_number_of_jobs_running |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/parallellocalrun.py |
ParallelLocalRun.relax |
11 |
11 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/parallellocalrun.py |
ParallelLocalRun.__cleanup__ |
20 |
20 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/parallellocalrun.py |
(no function) |
9 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/particle_comparator.py |
NNMatComparator.__init__ |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/particle_comparator.py |
NNMatComparator.looks_like |
14 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/particle_comparator.py |
(no function) |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/particle_crossovers.py |
Crossover.__init__ |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/particle_crossovers.py |
CutSpliceCrossover.__init__ |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/particle_crossovers.py |
CutSpliceCrossover.get_new_individual |
69 |
13 |
0 |
81.16% |
| /builds/debichem-team/python-ase/ase/ga/particle_crossovers.py |
CutSpliceCrossover.get_numbers |
4 |
4 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/particle_crossovers.py |
CutSpliceCrossover.get_vectors_below_min_dist |
11 |
1 |
0 |
90.91% |
| /builds/debichem-team/python-ase/ase/ga/particle_crossovers.py |
CutSpliceCrossover.get_shortest_dist_vector |
12 |
12 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/particle_crossovers.py |
(no function) |
12 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/particle_mutations.py |
Mutation.__init__ |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/particle_mutations.py |
Mutation.get_atomic_configuration |
26 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/particle_mutations.py |
Mutation.get_list_of_possible_permutations |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/particle_mutations.py |
RandomMutation.__init__ |
3 |
3 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/particle_mutations.py |
RandomMutation.mutate |
7 |
7 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/particle_mutations.py |
RandomMutation.get_new_individual |
9 |
9 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/particle_mutations.py |
RandomMutation.random_vector |
3 |
3 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/particle_mutations.py |
RandomPermutation.__init__ |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/particle_mutations.py |
RandomPermutation.get_new_individual |
10 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/particle_mutations.py |
RandomPermutation.mutate |
8 |
2 |
0 |
75.00% |
| /builds/debichem-team/python-ase/ase/ga/particle_mutations.py |
COM2surfPermutation.__init__ |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/particle_mutations.py |
COM2surfPermutation.get_new_individual |
11 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/particle_mutations.py |
COM2surfPermutation.mutate |
13 |
1 |
0 |
92.31% |
| /builds/debichem-team/python-ase/ase/ga/particle_mutations.py |
COM2surfPermutation.get_core_indices |
10 |
2 |
0 |
80.00% |
| /builds/debichem-team/python-ase/ase/ga/particle_mutations.py |
COM2surfPermutation.get_shell_indices |
10 |
3 |
0 |
70.00% |
| /builds/debichem-team/python-ase/ase/ga/particle_mutations.py |
_NeighborhoodPermutation.get_possible_poor2rich_permutations |
22 |
2 |
0 |
90.91% |
| /builds/debichem-team/python-ase/ase/ga/particle_mutations.py |
_NeighborhoodPermutation.get_possible_poor2rich_permutations.f |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/particle_mutations.py |
Poor2richPermutation.__init__ |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/particle_mutations.py |
Poor2richPermutation.get_new_individual |
10 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/particle_mutations.py |
Poor2richPermutation.mutate |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/particle_mutations.py |
Rich2poorPermutation.__init__ |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/particle_mutations.py |
Rich2poorPermutation.get_new_individual |
13 |
1 |
0 |
92.31% |
| /builds/debichem-team/python-ase/ase/ga/particle_mutations.py |
Rich2poorPermutation.mutate |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/particle_mutations.py |
SymmetricSubstitute.__init__ |
3 |
3 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/particle_mutations.py |
SymmetricSubstitute.substitute |
7 |
7 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/particle_mutations.py |
SymmetricSubstitute.get_new_individual |
5 |
5 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/particle_mutations.py |
RandomSubstitute.__init__ |
3 |
3 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/particle_mutations.py |
RandomSubstitute.substitute |
10 |
10 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/particle_mutations.py |
RandomSubstitute.get_new_individual |
5 |
5 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/particle_mutations.py |
(no function) |
52 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/pbs_queue_run.py |
PBSQueueRun.__init__ |
10 |
10 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/pbs_queue_run.py |
PBSQueueRun.relax |
10 |
10 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/pbs_queue_run.py |
PBSQueueRun.enough_jobs_running |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/pbs_queue_run.py |
PBSQueueRun.number_of_jobs_running |
9 |
9 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/pbs_queue_run.py |
PBSQueueRun.__cleanup__ |
21 |
21 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/pbs_queue_run.py |
(no function) |
11 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/population.py |
count_looks_like |
7 |
1 |
0 |
85.71% |
| /builds/debichem-team/python-ase/ase/ga/population.py |
Population.__init__ |
13 |
2 |
0 |
84.62% |
| /builds/debichem-team/python-ase/ase/ga/population.py |
Population.__initialize_pop__ |
18 |
2 |
0 |
88.89% |
| /builds/debichem-team/python-ase/ase/ga/population.py |
Population.__calc_participation__ |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/population.py |
Population.update |
10 |
1 |
0 |
90.00% |
| /builds/debichem-team/python-ase/ase/ga/population.py |
Population.get_current_population |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/population.py |
Population.get_population_after_generation |
17 |
17 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/population.py |
Population.__add_candidate__ |
17 |
6 |
0 |
64.71% |
| /builds/debichem-team/python-ase/ase/ga/population.py |
Population.__get_fitness__ |
12 |
1 |
0 |
91.67% |
| /builds/debichem-team/python-ase/ase/ga/population.py |
Population.get_two_candidates |
26 |
2 |
0 |
92.31% |
| /builds/debichem-team/python-ase/ase/ga/population.py |
Population.get_one_candidate |
13 |
13 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/population.py |
Population._write_log |
10 |
9 |
0 |
10.00% |
| /builds/debichem-team/python-ase/ase/ga/population.py |
Population.is_uniform |
7 |
7 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/population.py |
Population.mass_extinction |
3 |
3 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/population.py |
RandomPopulation.__init__ |
3 |
3 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/population.py |
RandomPopulation.__initialize_pop__ |
27 |
27 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/population.py |
RandomPopulation.update |
3 |
3 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/population.py |
RandomPopulation.get_one_candidate |
7 |
7 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/population.py |
RandomPopulation.get_two_candidates |
16 |
16 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/population.py |
FitnessSharingPopulation.__init__ |
6 |
6 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/population.py |
FitnessSharingPopulation.__get_fitness__ |
23 |
23 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/population.py |
FitnessSharingPopulation.update |
3 |
3 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/population.py |
FitnessSharingPopulation.__initialize_pop__ |
20 |
20 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/population.py |
FitnessSharingPopulation.get_two_candidates |
22 |
22 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/population.py |
RankFitnessPopulation.__init__ |
5 |
5 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/population.py |
RankFitnessPopulation.get_rank |
22 |
22 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/population.py |
RankFitnessPopulation.__get_fitness__ |
12 |
12 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/population.py |
RankFitnessPopulation.update |
4 |
4 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/population.py |
RankFitnessPopulation.__initialize_pop__ |
26 |
26 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/population.py |
RankFitnessPopulation.get_two_candidates |
22 |
22 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/population.py |
MultiObjectivePopulation.__init__ |
8 |
8 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/population.py |
MultiObjectivePopulation.get_nonrank |
4 |
4 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/population.py |
MultiObjectivePopulation.__get_fitness__ |
58 |
58 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/population.py |
MultiObjectivePopulation.__initialize_pop__ |
31 |
31 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/population.py |
(no function) |
44 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/relax_attaches.py |
VariansBreak.__init__ |
5 |
5 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/relax_attaches.py |
VariansBreak.write |
8 |
8 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/relax_attaches.py |
DivergenceBreak.__init__ |
5 |
5 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/relax_attaches.py |
DivergenceBreak.write |
10 |
10 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/relax_attaches.py |
(no function) |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/slab_operators.py |
permute2 |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/slab_operators.py |
replace_element |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/slab_operators.py |
get_add_remove_lists |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/slab_operators.py |
get_minority_element |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/slab_operators.py |
minority_element_segregate |
10 |
10 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/slab_operators.py |
same_layer_comp |
12 |
12 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/slab_operators.py |
get_layer_comps |
8 |
8 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/slab_operators.py |
get_ordered_composition |
12 |
4 |
0 |
66.67% |
| /builds/debichem-team/python-ase/ase/ga/slab_operators.py |
dummy_func |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/slab_operators.py |
SlabOperator.__init__ |
6 |
1 |
0 |
83.33% |
| /builds/debichem-team/python-ase/ase/ga/slab_operators.py |
SlabOperator.get_symbols_to_use |
15 |
15 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/slab_operators.py |
SlabOperator.get_add_remove_elements |
16 |
1 |
0 |
93.75% |
| /builds/debichem-team/python-ase/ase/ga/slab_operators.py |
SlabOperator.get_closest_composition_diff |
11 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/slab_operators.py |
SlabOperator.get_composition_diff |
4 |
1 |
0 |
75.00% |
| /builds/debichem-team/python-ase/ase/ga/slab_operators.py |
SlabOperator.get_possible_mutations |
10 |
10 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/slab_operators.py |
SlabOperator.get_all_element_mutations |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/slab_operators.py |
SlabOperator.finalize_individual |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/slab_operators.py |
CutSpliceSlabCrossover.__init__ |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/slab_operators.py |
CutSpliceSlabCrossover.get_new_individual |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/slab_operators.py |
CutSpliceSlabCrossover.operate |
26 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/slab_operators.py |
RandomCompositionMutation.__init__ |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/slab_operators.py |
RandomCompositionMutation.get_new_individual |
9 |
3 |
0 |
66.67% |
| /builds/debichem-team/python-ase/ase/ga/slab_operators.py |
RandomCompositionMutation.operate |
22 |
2 |
0 |
90.91% |
| /builds/debichem-team/python-ase/ase/ga/slab_operators.py |
RandomElementMutation.__init__ |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/slab_operators.py |
RandomElementMutation.get_new_individual |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/slab_operators.py |
RandomElementMutation.operate |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/slab_operators.py |
NeighborhoodElementMutation.__init__ |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/slab_operators.py |
NeighborhoodElementMutation.get_new_individual |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/slab_operators.py |
NeighborhoodElementMutation.operate |
12 |
1 |
0 |
91.67% |
| /builds/debichem-team/python-ase/ase/ga/slab_operators.py |
SymmetrySlabPermutation.__init__ |
7 |
7 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/slab_operators.py |
SymmetrySlabPermutation.get_new_individual |
9 |
9 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/slab_operators.py |
SymmetrySlabPermutation.operate |
13 |
13 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/slab_operators.py |
RandomSlabPermutation.__init__ |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/slab_operators.py |
RandomSlabPermutation.get_new_individual |
10 |
3 |
0 |
70.00% |
| /builds/debichem-team/python-ase/ase/ga/slab_operators.py |
RandomSlabPermutation.operate |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/slab_operators.py |
(no function) |
53 |
2 |
0 |
96.23% |
| /builds/debichem-team/python-ase/ase/ga/soft_mutation.py |
TagFilter.__init__ |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/soft_mutation.py |
TagFilter.get_positions |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/soft_mutation.py |
TagFilter.set_positions |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/soft_mutation.py |
TagFilter.get_forces |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/soft_mutation.py |
TagFilter.get_masses |
6 |
6 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/soft_mutation.py |
TagFilter.__len__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/soft_mutation.py |
PairwiseHarmonicPotential.__init__ |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/soft_mutation.py |
PairwiseHarmonicPotential.calculate_force_constants |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/soft_mutation.py |
PairwiseHarmonicPotential.get_forces |
13 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/soft_mutation.py |
get_number_of_valence_electrons |
11 |
1 |
0 |
90.91% |
| /builds/debichem-team/python-ase/ase/ga/soft_mutation.py |
BondElectroNegativityModel.calculate_force_constants |
34 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/soft_mutation.py |
SoftMutation.__init__ |
14 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/soft_mutation.py |
SoftMutation._get_hessian |
19 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/soft_mutation.py |
SoftMutation._calculate_normal_modes |
7 |
2 |
0 |
71.43% |
| /builds/debichem-team/python-ase/ase/ga/soft_mutation.py |
SoftMutation.animate_mode |
9 |
9 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/soft_mutation.py |
SoftMutation.read_used_modes |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/soft_mutation.py |
SoftMutation.write_used_modes |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/soft_mutation.py |
SoftMutation.get_new_individual |
7 |
1 |
0 |
85.71% |
| /builds/debichem-team/python-ase/ase/ga/soft_mutation.py |
SoftMutation.mutate |
48 |
2 |
0 |
95.83% |
| /builds/debichem-team/python-ase/ase/ga/soft_mutation.py |
SoftMutation.mutate.expand |
4 |
1 |
0 |
75.00% |
| /builds/debichem-team/python-ase/ase/ga/soft_mutation.py |
(no function) |
31 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/standard_comparators.py |
get_sorted_dist_list |
12 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/standard_comparators.py |
InteratomicDistanceComparator.__init__ |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/standard_comparators.py |
InteratomicDistanceComparator.looks_like |
9 |
1 |
0 |
88.89% |
| /builds/debichem-team/python-ase/ase/ga/standard_comparators.py |
InteratomicDistanceComparator.__compare_structure__ |
19 |
1 |
0 |
94.74% |
| /builds/debichem-team/python-ase/ase/ga/standard_comparators.py |
SequentialComparator.__init__ |
13 |
3 |
0 |
76.92% |
| /builds/debichem-team/python-ase/ase/ga/standard_comparators.py |
SequentialComparator.looks_like |
9 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/standard_comparators.py |
StringComparator.__init__ |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/standard_comparators.py |
StringComparator.looks_like |
4 |
4 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/standard_comparators.py |
EnergyComparator.__init__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/standard_comparators.py |
EnergyComparator.looks_like |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/standard_comparators.py |
RawScoreComparator.__init__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/standard_comparators.py |
RawScoreComparator.looks_like |
4 |
1 |
0 |
75.00% |
| /builds/debichem-team/python-ase/ase/ga/standard_comparators.py |
NoComparator.looks_like |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/standard_comparators.py |
AtomsComparator.looks_like |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/standard_comparators.py |
CompositionComparator.looks_like |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/standard_comparators.py |
(no function) |
25 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/standardmutations.py |
RattleMutation.__init__ |
9 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/standardmutations.py |
RattleMutation.get_new_individual |
7 |
1 |
0 |
85.71% |
| /builds/debichem-team/python-ase/ase/ga/standardmutations.py |
RattleMutation.mutate |
32 |
2 |
0 |
93.75% |
| /builds/debichem-team/python-ase/ase/ga/standardmutations.py |
PermutationMutation.__init__ |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/standardmutations.py |
PermutationMutation.get_new_individual |
7 |
1 |
0 |
85.71% |
| /builds/debichem-team/python-ase/ase/ga/standardmutations.py |
PermutationMutation.mutate |
47 |
2 |
0 |
95.74% |
| /builds/debichem-team/python-ase/ase/ga/standardmutations.py |
MirrorMutation.__init__ |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/standardmutations.py |
MirrorMutation.get_new_individual |
7 |
7 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/standardmutations.py |
MirrorMutation.mutate |
75 |
75 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/standardmutations.py |
StrainMutation.__init__ |
9 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/standardmutations.py |
StrainMutation.update_scaling_volume |
8 |
3 |
0 |
62.50% |
| /builds/debichem-team/python-ase/ase/ga/standardmutations.py |
StrainMutation.get_new_individual |
7 |
1 |
0 |
85.71% |
| /builds/debichem-team/python-ase/ase/ga/standardmutations.py |
StrainMutation.mutate |
53 |
1 |
0 |
98.11% |
| /builds/debichem-team/python-ase/ase/ga/standardmutations.py |
PermuStrainMutation.__init__ |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/standardmutations.py |
RotationalMutation.__init__ |
9 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/standardmutations.py |
RotationalMutation.get_new_individual |
7 |
1 |
0 |
85.71% |
| /builds/debichem-team/python-ase/ase/ga/standardmutations.py |
RotationalMutation.mutate |
47 |
1 |
0 |
97.87% |
| /builds/debichem-team/python-ase/ase/ga/standardmutations.py |
RattleRotationalMutation.__init__ |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/standardmutations.py |
(no function) |
32 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/startgenerator.py |
StartGenerator.__init__ |
54 |
3 |
0 |
94.44% |
| /builds/debichem-team/python-ase/ase/ga/startgenerator.py |
StartGenerator.get_new_candidate |
104 |
5 |
0 |
95.19% |
| /builds/debichem-team/python-ase/ase/ga/startgenerator.py |
StartGenerator.generate_unit_cell |
40 |
2 |
0 |
95.00% |
| /builds/debichem-team/python-ase/ase/ga/startgenerator.py |
(no function) |
9 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/utilities.py |
closest_distances_generator |
12 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/utilities.py |
get_mic_distance |
15 |
15 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/utilities.py |
db_call_with_error_tol |
9 |
9 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/utilities.py |
save_trajectory |
3 |
3 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/utilities.py |
get_trajectory |
6 |
6 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/utilities.py |
gather_atoms_by_tag |
9 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/utilities.py |
atoms_too_close |
30 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/utilities.py |
atoms_too_close_two_sets |
29 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/utilities.py |
get_all_atom_types |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/utilities.py |
get_distance_matrix |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/utilities.py |
get_nndist |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/utilities.py |
get_nnmat |
16 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/utilities.py |
get_nnmat_string |
5 |
5 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/utilities.py |
get_connections_index |
13 |
13 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/utilities.py |
get_atoms_connections |
5 |
5 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/utilities.py |
get_angles_distribution |
15 |
15 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/utilities.py |
get_neighborlist |
19 |
19 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/utilities.py |
get_atoms_distribution |
21 |
21 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/utilities.py |
get_rings |
30 |
30 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/ga/utilities.py |
get_cell_angles_lengths |
13 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/utilities.py |
CellBounds.__init__ |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/utilities.py |
CellBounds.is_within_bounds |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/utilities.py |
get_rotation_matrix |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/utilities.py |
(no function) |
34 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/geometry/__init__.py |
(no function) |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/geometry/analysis.py |
get_max_containing_cell_length |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/geometry/analysis.py |
get_max_volume_estimate |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/geometry/analysis.py |
Analysis.__init__ |
8 |
3 |
0 |
62.50% |
| /builds/debichem-team/python-ase/ase/geometry/analysis.py |
Analysis._get_slice |
8 |
3 |
0 |
62.50% |
| /builds/debichem-team/python-ase/ase/geometry/analysis.py |
Analysis.images |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/geometry/analysis.py |
Analysis.images |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/geometry/analysis.py |
Analysis.images |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/geometry/analysis.py |
Analysis.nImages |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/geometry/analysis.py |
Analysis.nl |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/geometry/analysis.py |
Analysis._get_all_x |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/geometry/analysis.py |
Analysis.all_bonds |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/geometry/analysis.py |
Analysis.all_angles |
15 |
1 |
0 |
93.33% |
| /builds/debichem-team/python-ase/ase/geometry/analysis.py |
Analysis.all_dihedrals |
25 |
3 |
0 |
88.00% |
| /builds/debichem-team/python-ase/ase/geometry/analysis.py |
Analysis.adjacency_matrix |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/geometry/analysis.py |
Analysis.distance_matrix |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/geometry/analysis.py |
Analysis.unique_bonds |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/geometry/analysis.py |
Analysis._filter_unique |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/geometry/analysis.py |
Analysis.clear_cache |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/geometry/analysis.py |
Analysis.unique_angles |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/geometry/analysis.py |
Analysis.unique_dihedrals |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/geometry/analysis.py |
Analysis._get_symbol_idxs |
3 |
1 |
0 |
66.67% |
| /builds/debichem-team/python-ase/ase/geometry/analysis.py |
Analysis._idxTuple2SymbolTuple |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/geometry/analysis.py |
Analysis.get_bonds |
14 |
14 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/geometry/analysis.py |
Analysis.get_angles |
20 |
2 |
0 |
90.00% |
| /builds/debichem-team/python-ase/ase/geometry/analysis.py |
Analysis.get_dihedrals |
13 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/geometry/analysis.py |
Analysis.get_bond_value |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/geometry/analysis.py |
Analysis.get_angle_value |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/geometry/analysis.py |
Analysis.get_dihedral_value |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/geometry/analysis.py |
Analysis.get_values |
22 |
22 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/geometry/analysis.py |
Analysis.get_max_volume_estimate |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/geometry/analysis.py |
Analysis.get_rdf |
31 |
22 |
0 |
29.03% |
| /builds/debichem-team/python-ase/ase/geometry/analysis.py |
(no function) |
51 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/geometry/bravais_type_engine.py |
lattice_loop |
20 |
2 |
0 |
90.00% |
| /builds/debichem-team/python-ase/ase/geometry/bravais_type_engine.py |
find_niggli_ops |
19 |
3 |
0 |
84.21% |
| /builds/debichem-team/python-ase/ase/geometry/bravais_type_engine.py |
find_all_niggli_ops |
13 |
1 |
0 |
92.31% |
| /builds/debichem-team/python-ase/ase/geometry/bravais_type_engine.py |
generate_niggli_op_table |
12 |
2 |
0 |
83.33% |
| /builds/debichem-team/python-ase/ase/geometry/bravais_type_engine.py |
(no function) |
10 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/geometry/cell.py |
unit_vector |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/geometry/cell.py |
angle |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/geometry/cell.py |
cell_to_cellpar |
14 |
1 |
0 |
92.86% |
| /builds/debichem-team/python-ase/ase/geometry/cell.py |
cellpar_to_cell |
43 |
4 |
0 |
90.70% |
| /builds/debichem-team/python-ase/ase/geometry/cell.py |
metric_from_cell |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/geometry/cell.py |
complete_cell |
15 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/geometry/cell.py |
is_orthorhombic |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/geometry/cell.py |
orthorhombic |
3 |
3 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/geometry/cell.py |
(no function) |
12 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/geometry/dimensionality/__init__.py |
(no function) |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/geometry/dimensionality/bond_generator.py |
get_bond_list |
10 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/geometry/dimensionality/bond_generator.py |
next_bond |
13 |
1 |
0 |
92.31% |
| /builds/debichem-team/python-ase/ase/geometry/dimensionality/bond_generator.py |
(no function) |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/geometry/dimensionality/disjoint_set.py |
DisjointSet.__init__ |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/geometry/dimensionality/disjoint_set.py |
DisjointSet._compress |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/geometry/dimensionality/disjoint_set.py |
DisjointSet.union |
13 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/geometry/dimensionality/disjoint_set.py |
DisjointSet.find |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/geometry/dimensionality/disjoint_set.py |
DisjointSet.find_all |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/geometry/dimensionality/disjoint_set.py |
(no function) |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/geometry/dimensionality/interval_analysis.py |
f |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/geometry/dimensionality/interval_analysis.py |
calculate_score |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/geometry/dimensionality/interval_analysis.py |
reduced_histogram |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/geometry/dimensionality/interval_analysis.py |
build_dimtype |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/geometry/dimensionality/interval_analysis.py |
build_kinterval |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/geometry/dimensionality/interval_analysis.py |
merge_intervals |
11 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/geometry/dimensionality/interval_analysis.py |
build_kintervals |
28 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/geometry/dimensionality/interval_analysis.py |
analyze_kintervals |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/geometry/dimensionality/interval_analysis.py |
(no function) |
13 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/geometry/dimensionality/isolation.py |
orthogonal_basis |
16 |
1 |
0 |
93.75% |
| /builds/debichem-team/python-ase/ase/geometry/dimensionality/isolation.py |
select_cutoff |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/geometry/dimensionality/isolation.py |
traverse_graph |
9 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/geometry/dimensionality/isolation.py |
build_supercomponent |
13 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/geometry/dimensionality/isolation.py |
select_chain_rotation |
13 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/geometry/dimensionality/isolation.py |
isolate_chain |
20 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/geometry/dimensionality/isolation.py |
construct_inplane_basis |
17 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/geometry/dimensionality/isolation.py |
isolate_monolayer |
13 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/geometry/dimensionality/isolation.py |
isolate_bulk |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/geometry/dimensionality/isolation.py |
isolate_cluster |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/geometry/dimensionality/isolation.py |
isolate_components |
18 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/geometry/dimensionality/isolation.py |
(no function) |
19 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/geometry/dimensionality/rank_determination.py |
dot_product |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/geometry/dimensionality/rank_determination.py |
cross_product |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/geometry/dimensionality/rank_determination.py |
subtract |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/geometry/dimensionality/rank_determination.py |
rank_increase |
13 |
1 |
0 |
92.31% |
| /builds/debichem-team/python-ase/ase/geometry/dimensionality/rank_determination.py |
bfs |
20 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/geometry/dimensionality/rank_determination.py |
traverse_component_graphs |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/geometry/dimensionality/rank_determination.py |
build_adjacency_list |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/geometry/dimensionality/rank_determination.py |
get_dimensionality_histogram |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/geometry/dimensionality/rank_determination.py |
merge_mutual_visits |
18 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/geometry/dimensionality/rank_determination.py |
RDA.__init__ |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/geometry/dimensionality/rank_determination.py |
RDA.insert_bond |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/geometry/dimensionality/rank_determination.py |
RDA.check |
11 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/geometry/dimensionality/rank_determination.py |
RDA.get_components |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/geometry/dimensionality/rank_determination.py |
(no function) |
17 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/geometry/dimensionality/topology_scaling.py |
TSA.__init__ |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/geometry/dimensionality/topology_scaling.py |
TSA.insert_bond |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/geometry/dimensionality/topology_scaling.py |
TSA._get_component_dimensionalities |
10 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/geometry/dimensionality/topology_scaling.py |
TSA.check |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/geometry/dimensionality/topology_scaling.py |
TSA.get_components |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/geometry/dimensionality/topology_scaling.py |
(no function) |
9 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/geometry/distance.py |
distance |
14 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/geometry/distance.py |
distance.align |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/geometry/distance.py |
distance.dd |
16 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/geometry/distance.py |
(no function) |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/geometry/geometry.py |
translate_pretty |
9 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/geometry/geometry.py |
wrap_positions |
18 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/geometry/geometry.py |
get_layers |
13 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/geometry/geometry.py |
naive_find_mic |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/geometry/geometry.py |
general_find_mic |
12 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/geometry/geometry.py |
find_mic |
19 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/geometry/geometry.py |
conditional_find_mic |
8 |
1 |
0 |
87.50% |
| /builds/debichem-team/python-ase/ase/geometry/geometry.py |
get_angles |
7 |
1 |
0 |
85.71% |
| /builds/debichem-team/python-ase/ase/geometry/geometry.py |
get_angles_derivatives |
12 |
1 |
0 |
91.67% |
| /builds/debichem-team/python-ase/ase/geometry/geometry.py |
get_dihedrals |
13 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/geometry/geometry.py |
get_dihedrals_derivatives |
19 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/geometry/geometry.py |
get_distances |
19 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/geometry/geometry.py |
get_distances_derivatives |
7 |
1 |
0 |
85.71% |
| /builds/debichem-team/python-ase/ase/geometry/geometry.py |
get_duplicate_atoms |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/geometry/geometry.py |
_row_col_from_pdist |
7 |
1 |
0 |
85.71% |
| /builds/debichem-team/python-ase/ase/geometry/geometry.py |
permute_axes |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/geometry/geometry.py |
(no function) |
22 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/geometry/minkowski_reduction.py |
CycleChecker.__init__ |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/geometry/minkowski_reduction.py |
CycleChecker.add_site |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/geometry/minkowski_reduction.py |
reduction_gauss |
12 |
1 |
0 |
91.67% |
| /builds/debichem-team/python-ase/ase/geometry/minkowski_reduction.py |
relevant_vectors_2D |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/geometry/minkowski_reduction.py |
closest_vector |
15 |
1 |
0 |
93.33% |
| /builds/debichem-team/python-ase/ase/geometry/minkowski_reduction.py |
reduction_full |
21 |
1 |
0 |
95.24% |
| /builds/debichem-team/python-ase/ase/geometry/minkowski_reduction.py |
is_minkowski_reduced |
19 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/geometry/minkowski_reduction.py |
minkowski_reduce |
36 |
1 |
0 |
97.22% |
| /builds/debichem-team/python-ase/ase/geometry/minkowski_reduction.py |
(no function) |
15 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/geometry/rdf.py |
get_rdf |
30 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/geometry/rdf.py |
check_cell_and_r_max |
10 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/geometry/rdf.py |
get_recommended_r_max |
9 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/geometry/rdf.py |
get_containing_cell_length |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/geometry/rdf.py |
get_volume_estimate |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/geometry/rdf.py |
(no function) |
14 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/__init__.py |
(no function) |
0 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/add.py |
AddAtoms.__init__ |
24 |
1 |
0 |
95.83% |
| /builds/debichem-team/python-ase/ase/gui/add.py |
AddAtoms.__init__.choose_file |
6 |
6 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/gui/add.py |
AddAtoms.readfile |
12 |
12 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/gui/add.py |
AddAtoms.get_atoms |
17 |
10 |
0 |
41.18% |
| /builds/debichem-team/python-ase/ase/gui/add.py |
AddAtoms.getcoords |
7 |
3 |
0 |
57.14% |
| /builds/debichem-team/python-ase/ase/gui/add.py |
AddAtoms.focus |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/add.py |
AddAtoms.add |
15 |
7 |
0 |
53.33% |
| /builds/debichem-team/python-ase/ase/gui/add.py |
(no function) |
14 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/ag.py |
CLICommand.add_arguments |
11 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/ag.py |
CLICommand.run |
33 |
22 |
0 |
33.33% |
| /builds/debichem-team/python-ase/ase/gui/ag.py |
(no function) |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/celleditor.py |
CellEditor.__init__ |
30 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/celleditor.py |
CellEditor.apply_center |
3 |
3 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/gui/celleditor.py |
CellEditor.apply_wrap |
3 |
3 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/gui/celleditor.py |
CellEditor.apply_vacuum |
7 |
7 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/gui/celleditor.py |
CellEditor.apply_vectors |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/celleditor.py |
CellEditor.get_vectors |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/celleditor.py |
CellEditor.get_magnitudes |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/celleditor.py |
CellEditor.apply_magnitudes |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/celleditor.py |
CellEditor.apply_angles |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/celleditor.py |
CellEditor.apply_pbc |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/celleditor.py |
CellEditor.notify_atoms_changed |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/celleditor.py |
CellEditor.update |
15 |
3 |
0 |
80.00% |
| /builds/debichem-team/python-ase/ase/gui/celleditor.py |
(no function) |
17 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/clipboard.py |
AtomsClipboard.__init__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/clipboard.py |
AtomsClipboard.get_text |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/clipboard.py |
AtomsClipboard.set_text |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/clipboard.py |
AtomsClipboard.get_atoms |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/clipboard.py |
AtomsClipboard.set_atoms |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/clipboard.py |
(no function) |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/colors.py |
ColorWindow.__init__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/colors.py |
ColorWindow.reset |
19 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/colors.py |
ColorWindow.change_mnmx |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/colors.py |
ColorWindow.activate |
10 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/colors.py |
ColorWindow.toggle |
34 |
9 |
0 |
73.53% |
| /builds/debichem-team/python-ase/ase/gui/colors.py |
ColorWindow.notify_atoms_changed |
5 |
5 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/gui/colors.py |
ColorWindow.update_colormap |
16 |
5 |
0 |
68.75% |
| /builds/debichem-team/python-ase/ase/gui/colors.py |
(no function) |
12 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/constraints.py |
Constraints.__init__ |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/constraints.py |
Constraints.selected |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/constraints.py |
Constraints.unconstrain |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/gui/constraints.py |
Constraints.clear |
3 |
3 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/gui/constraints.py |
(no function) |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/defaults.py |
read_defaults |
6 |
1 |
0 |
83.33% |
| /builds/debichem-team/python-ase/ase/gui/defaults.py |
(no function) |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/graphs.py |
Graphs.__init__ |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/graphs.py |
Graphs.plot |
12 |
6 |
0 |
50.00% |
| /builds/debichem-team/python-ase/ase/gui/graphs.py |
Graphs.save |
7 |
7 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/gui/graphs.py |
make_plot |
18 |
18 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/gui/graphs.py |
(no function) |
13 |
1 |
0 |
92.31% |
| /builds/debichem-team/python-ase/ase/gui/gui.py |
GUI.__init__ |
28 |
1 |
0 |
96.43% |
| /builds/debichem-team/python-ase/ase/gui/gui.py |
GUI.moving |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/gui.py |
GUI.run |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/gui/gui.py |
GUI.toggle_move_mode |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/gui/gui.py |
GUI.toggle_rotate_mode |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/gui/gui.py |
GUI.toggle_arrowkey_mode |
7 |
7 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/gui/gui.py |
GUI.step |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/gui.py |
GUI.copy_image |
5 |
5 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/gui/gui.py |
GUI._do_zoom |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/gui/gui.py |
GUI.zoom |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/gui/gui.py |
GUI.scroll_event |
7 |
7 |
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1 |
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GUI.scroll |
30 |
30 |
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GUI.delete_selected_atoms |
4 |
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GUI.really_delete_selected_atoms |
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GUI.constraints_window |
2 |
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GUI.select_all |
2 |
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GUI.invert_selection |
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GUI.select_constrained_atoms |
2 |
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GUI.select_immobile_atoms |
6 |
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GUI.movie |
2 |
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GUI.plot_graphs |
4 |
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GUI.pipe |
10 |
3 |
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GUI.bad_plot |
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GUI.neb |
6 |
6 |
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GUI.bulk_modulus |
9 |
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GUI.reciprocal |
6 |
1 |
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GUI.open |
10 |
3 |
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GUI.modify_atoms |
2 |
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GUI.add_atoms |
2 |
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GUI.cell_editor |
2 |
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GUI.quick_info_window |
6 |
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GUI.quick_info_window.update |
4 |
4 |
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GUI.surface_window |
1 |
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GUI.nanoparticle_window |
1 |
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GUI.nanotube_window |
1 |
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GUI.new_atoms |
7 |
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GUI.notify_vulnerable |
7 |
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GUI.register_vulnerable |
1 |
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GUI.exit |
3 |
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GUI.new |
1 |
1 |
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GUI.save |
1 |
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GUI.external_viewer |
2 |
2 |
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| /builds/debichem-team/python-ase/ase/gui/gui.py |
GUI.selected_atoms |
2 |
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GUI.clipboard |
2 |
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GUI.cut_atoms_to_clipboard |
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| /builds/debichem-team/python-ase/ase/gui/gui.py |
GUI.copy_atoms_to_clipboard |
2 |
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| /builds/debichem-team/python-ase/ase/gui/gui.py |
GUI.paste_atoms_from_clipboard |
9 |
1 |
0 |
88.89% |
| /builds/debichem-team/python-ase/ase/gui/gui.py |
GUI.paste_atoms_onto_existing |
10 |
4 |
0 |
60.00% |
| /builds/debichem-team/python-ase/ase/gui/gui.py |
GUI.add_atoms_and_select |
9 |
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0 |
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| /builds/debichem-team/python-ase/ase/gui/gui.py |
GUI.get_menu_data |
2 |
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| /builds/debichem-team/python-ase/ase/gui/gui.py |
GUI.attach |
1 |
0 |
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| /builds/debichem-team/python-ase/ase/gui/gui.py |
GUI.call_observers |
1 |
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| /builds/debichem-team/python-ase/ase/gui/gui.py |
GUI.repeat_poll |
2 |
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| /builds/debichem-team/python-ase/ase/gui/gui.py |
GUI.repeat_poll.callbackwrapper |
8 |
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| /builds/debichem-team/python-ase/ase/gui/gui.py |
webpage |
2 |
2 |
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| /builds/debichem-team/python-ase/ase/gui/gui.py |
(no function) |
79 |
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(no function) |
7 |
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| /builds/debichem-team/python-ase/ase/gui/images.py |
Images.__init__ |
6 |
0 |
0 |
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| /builds/debichem-team/python-ase/ase/gui/images.py |
Images.__len__ |
1 |
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Images.__getitem__ |
1 |
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| /builds/debichem-team/python-ase/ase/gui/images.py |
Images.__iter__ |
1 |
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Images.get_dynamic |
5 |
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| /builds/debichem-team/python-ase/ase/gui/images.py |
Images.set_dynamic |
5 |
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| /builds/debichem-team/python-ase/ase/gui/images.py |
Images.scale_radii |
1 |
1 |
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| /builds/debichem-team/python-ase/ase/gui/images.py |
Images.get_energy |
4 |
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| /builds/debichem-team/python-ase/ase/gui/images.py |
Images.get_forces |
4 |
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| /builds/debichem-team/python-ase/ase/gui/images.py |
Images.initialize |
22 |
4 |
0 |
81.82% |
| /builds/debichem-team/python-ase/ase/gui/images.py |
Images.get_radii |
3 |
0 |
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| /builds/debichem-team/python-ase/ase/gui/images.py |
Images.read |
30 |
6 |
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80.00% |
| /builds/debichem-team/python-ase/ase/gui/images.py |
Images.repeat_results |
25 |
6 |
0 |
76.00% |
| /builds/debichem-team/python-ase/ase/gui/images.py |
Images.repeat_results.getresult |
9 |
4 |
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55.56% |
| /builds/debichem-team/python-ase/ase/gui/images.py |
Images.repeat_unit_cell |
5 |
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100.00% |
| /builds/debichem-team/python-ase/ase/gui/images.py |
Images.repeat_images |
27 |
8 |
0 |
70.37% |
| /builds/debichem-team/python-ase/ase/gui/images.py |
Images.center |
2 |
2 |
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Images.graph |
40 |
6 |
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85.00% |
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Images.graph.d |
1 |
1 |
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| /builds/debichem-team/python-ase/ase/gui/images.py |
Images.graph.a |
8 |
8 |
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| /builds/debichem-team/python-ase/ase/gui/images.py |
Images.graph.dih |
16 |
16 |
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| /builds/debichem-team/python-ase/ase/gui/images.py |
Images.write |
15 |
15 |
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| /builds/debichem-team/python-ase/ase/gui/images.py |
Images.get_atoms |
15 |
1 |
0 |
93.33% |
| /builds/debichem-team/python-ase/ase/gui/images.py |
Images.delete |
3 |
3 |
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| /builds/debichem-team/python-ase/ase/gui/images.py |
(no function) |
32 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/modify.py |
ModifyAtoms.__init__ |
23 |
2 |
0 |
91.30% |
| /builds/debichem-team/python-ase/ase/gui/modify.py |
ModifyAtoms.selection |
1 |
0 |
0 |
100.00% |
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ModifyAtoms.set_element |
2 |
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ModifyAtoms.set_tag |
4 |
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ModifyAtoms.set_magmom |
4 |
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(no function) |
12 |
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| /builds/debichem-team/python-ase/ase/gui/movie.py |
Movie.__init__ |
21 |
2 |
0 |
90.48% |
| /builds/debichem-team/python-ase/ase/gui/movie.py |
Movie.notify_atoms_changed |
1 |
1 |
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| /builds/debichem-team/python-ase/ase/gui/movie.py |
Movie.close |
2 |
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Movie.click |
9 |
9 |
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Movie.new_frame |
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Movie.play |
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Movie.stop |
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Movie.step |
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(no function) |
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SetupNanoparticle.__init__ |
45 |
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SetupNanoparticle.default_direction_table |
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SetupNanoparticle.update_direction_table |
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SetupNanoparticle.add_direction |
15 |
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SetupNanoparticle.update_new_direction_and_size_stuff |
32 |
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SetupNanoparticle.update_structure |
10 |
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SetupNanoparticle.update_gui_method |
6 |
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SetupNanoparticle.wulff_smaller |
5 |
5 |
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SetupNanoparticle.wulff_larger |
5 |
5 |
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| /builds/debichem-team/python-ase/ase/gui/nanoparticle.py |
SetupNanoparticle.row_add |
17 |
17 |
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| /builds/debichem-team/python-ase/ase/gui/nanoparticle.py |
SetupNanoparticle.row_delete |
2 |
2 |
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| /builds/debichem-team/python-ase/ase/gui/nanoparticle.py |
SetupNanoparticle.row_swap_next |
3 |
3 |
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| /builds/debichem-team/python-ase/ase/gui/nanoparticle.py |
SetupNanoparticle.update_gui_size |
2 |
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| /builds/debichem-team/python-ase/ase/gui/nanoparticle.py |
SetupNanoparticle.update_size_natoms |
4 |
4 |
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| /builds/debichem-team/python-ase/ase/gui/nanoparticle.py |
SetupNanoparticle.update_size_diameter |
6 |
5 |
0 |
16.67% |
| /builds/debichem-team/python-ase/ase/gui/nanoparticle.py |
SetupNanoparticle.update |
9 |
3 |
0 |
66.67% |
| /builds/debichem-team/python-ase/ase/gui/nanoparticle.py |
SetupNanoparticle.set_structure_data |
20 |
9 |
0 |
55.00% |
| /builds/debichem-team/python-ase/ase/gui/nanoparticle.py |
SetupNanoparticle.makeatoms |
25 |
3 |
0 |
88.00% |
| /builds/debichem-team/python-ase/ase/gui/nanoparticle.py |
SetupNanoparticle.clearatoms |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/nanoparticle.py |
SetupNanoparticle.get_atomic_volume |
13 |
2 |
0 |
84.62% |
| /builds/debichem-team/python-ase/ase/gui/nanoparticle.py |
SetupNanoparticle.makeinfo |
11 |
0 |
0 |
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| /builds/debichem-team/python-ase/ase/gui/nanoparticle.py |
SetupNanoparticle.apply |
6 |
2 |
0 |
66.67% |
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SetupNanoparticle.ok |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/gui/nanoparticle.py |
(no function) |
44 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/nanotube.py |
SetupNanotube.__init__ |
16 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/nanotube.py |
SetupNanotube.make |
14 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/nanotube.py |
SetupNanotube.apply |
6 |
1 |
0 |
83.33% |
| /builds/debichem-team/python-ase/ase/gui/nanotube.py |
SetupNanotube.ok |
2 |
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0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/nanotube.py |
(no function) |
12 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/pipe.py |
main |
18 |
18 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/gui/pipe.py |
(no function) |
5 |
1 |
0 |
80.00% |
| /builds/debichem-team/python-ase/ase/gui/quickinfo.py |
info |
73 |
22 |
0 |
69.86% |
| /builds/debichem-team/python-ase/ase/gui/quickinfo.py |
info.add |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/quickinfo.py |
(no function) |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/render.py |
Render.__init__ |
37 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/render.py |
Render.get_guisize |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/render.py |
Render.ok |
42 |
11 |
0 |
73.81% |
| /builds/debichem-team/python-ase/ase/gui/render.py |
Render.update_outputname |
10 |
3 |
0 |
70.00% |
| /builds/debichem-team/python-ase/ase/gui/render.py |
Render.get_textures |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/render.py |
(no function) |
14 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/repeat.py |
Repeat.__init__ |
9 |
1 |
0 |
88.89% |
| /builds/debichem-team/python-ase/ase/gui/repeat.py |
Repeat.change |
3 |
0 |
0 |
100.00% |
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Repeat.set_unit_cell |
4 |
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0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/repeat.py |
(no function) |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/rotate.py |
Rotate.__init__ |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/rotate.py |
Rotate.change |
3 |
3 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/gui/rotate.py |
Rotate.update_angles |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/rotate.py |
(no function) |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/save.py |
save_dialog |
43 |
10 |
0 |
76.74% |
| /builds/debichem-team/python-ase/ase/gui/save.py |
(no function) |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/settings.py |
Settings.__init__ |
15 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/settings.py |
Settings.scale_radii |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/settings.py |
Settings.scale_force_vectors |
3 |
3 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/gui/settings.py |
Settings.scale_velocity_vectors |
3 |
3 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/gui/settings.py |
Settings.hide_selected |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/gui/settings.py |
Settings.show_selected |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/gui/settings.py |
Settings.view_all |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/gui/settings.py |
Settings.constrain_selected |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/gui/settings.py |
Settings.release_selected |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/gui/settings.py |
Settings.clear_constraints |
3 |
3 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/gui/settings.py |
(no function) |
13 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/status.py |
formula |
12 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/status.py |
Status.__init__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/status.py |
Status.status |
64 |
23 |
0 |
64.06% |
| /builds/debichem-team/python-ase/ase/gui/status.py |
Status.status.getresult |
9 |
4 |
0 |
55.56% |
| /builds/debichem-team/python-ase/ase/gui/status.py |
(no function) |
11 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/surfaceslab.py |
SetupSurfaceSlab.__init__ |
36 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/surfaceslab.py |
SetupSurfaceSlab.vacuum_checked |
4 |
4 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/gui/surfaceslab.py |
SetupSurfaceSlab.get_lattice |
15 |
13 |
0 |
13.33% |
| /builds/debichem-team/python-ase/ase/gui/surfaceslab.py |
SetupSurfaceSlab.structure_changed |
15 |
6 |
0 |
60.00% |
| /builds/debichem-team/python-ase/ase/gui/surfaceslab.py |
SetupSurfaceSlab.make |
52 |
16 |
0 |
69.23% |
| /builds/debichem-team/python-ase/ase/gui/surfaceslab.py |
SetupSurfaceSlab.apply |
6 |
2 |
0 |
66.67% |
| /builds/debichem-team/python-ase/ase/gui/surfaceslab.py |
SetupSurfaceSlab.ok |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/gui/surfaceslab.py |
(no function) |
17 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/ui.py |
error |
4 |
4 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/gui/ui.py |
about |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/ui.py |
helpbutton |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/ui.py |
helpwindow |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/ui.py |
set_windowtype |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/ui.py |
BaseWindow.__init__ |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/ui.py |
BaseWindow.close |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/ui.py |
BaseWindow.title |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/ui.py |
BaseWindow.add |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/ui.py |
Window.__init__ |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/ui.py |
Widget.pack |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/ui.py |
Widget.grid |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/ui.py |
Widget.create |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/ui.py |
Widget.active |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/ui.py |
Widget.active |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/ui.py |
Row.__init__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/ui.py |
Row.create |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/ui.py |
Row.__getitem__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/ui.py |
Label.__init__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/ui.py |
Label.text |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/ui.py |
Label.text |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/ui.py |
Text.__init__ |
12 |
6 |
0 |
50.00% |
| /builds/debichem-team/python-ase/ase/gui/ui.py |
Text.create |
9 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/ui.py |
Button.__init__ |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/ui.py |
CheckButton.__init__ |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/ui.py |
CheckButton.create |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/ui.py |
CheckButton.value |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/ui.py |
SpinBox.__init__ |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/ui.py |
SpinBox.create |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/ui.py |
SpinBox.value |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/ui.py |
SpinBox.value |
7 |
2 |
0 |
71.43% |
| /builds/debichem-team/python-ase/ase/gui/ui.py |
_set_entry_value |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/ui.py |
Entry.__init__ |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/ui.py |
Entry.create |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/ui.py |
Entry.value |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/ui.py |
Entry.value |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/ui.py |
Scale.__init__ |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/ui.py |
Scale.__init__.command |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/ui.py |
Scale.create |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/ui.py |
Scale.value |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/ui.py |
Scale.value |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/ui.py |
RadioButtons.__init__ |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/ui.py |
RadioButtons.__init__.callback2 |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/gui/ui.py |
RadioButtons.create |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/ui.py |
RadioButtons.value |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/ui.py |
RadioButtons.value |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/ui.py |
RadioButtons.__getitem__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/ui.py |
RadioButton.__init__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/ui.py |
ComboBox.__init__ |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/ui.py |
ComboBox.create |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/ui.py |
ComboBox.create.callback |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/gui/ui.py |
ComboBox.value |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/ui.py |
ComboBox.value |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/ui.py |
Rows.__init__ |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/ui.py |
Rows.create |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/ui.py |
Rows.add |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/ui.py |
Rows.clear |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/ui.py |
Rows.__getitem__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/ui.py |
Rows.__delitem__ |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/ui.py |
Rows.__len__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/ui.py |
MenuItem.__init__ |
18 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/ui.py |
MenuItem.__init__.callback2 |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/gui/ui.py |
MenuItem.addto |
29 |
3 |
0 |
89.66% |
| /builds/debichem-team/python-ase/ase/gui/ui.py |
MainWindow.__init__ |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/ui.py |
MainWindow.create_menu |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/ui.py |
MainWindow.resize_event |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/gui/ui.py |
MainWindow.run |
6 |
6 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/gui/ui.py |
MainWindow.__getitem__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/ui.py |
MainWindow.__setitem__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/ui.py |
bind |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/ui.py |
bind.handle |
4 |
4 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/gui/ui.py |
ASEFileChooser.__init__ |
16 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/ui.py |
ASEFileChooser.__init__.key |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/ui.py |
ASEFileChooser.__init__.callback |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/gui/ui.py |
show_io_error |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/gui/ui.py |
ASEGUIWindow.__init__ |
23 |
1 |
0 |
95.65% |
| /builds/debichem-team/python-ase/ase/gui/ui.py |
ASEGUIWindow.update_status_line |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/ui.py |
ASEGUIWindow.run |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/gui/ui.py |
ASEGUIWindow.click |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/gui/ui.py |
ASEGUIWindow.clear |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/ui.py |
ASEGUIWindow.update |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/ui.py |
ASEGUIWindow.circle |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/ui.py |
ASEGUIWindow.arc |
6 |
2 |
0 |
66.67% |
| /builds/debichem-team/python-ase/ase/gui/ui.py |
ASEGUIWindow.line |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/ui.py |
ASEGUIWindow.text |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/ui.py |
ASEGUIWindow.after |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/ui.py |
(no function) |
132 |
3 |
0 |
97.73% |
| /builds/debichem-team/python-ase/ase/gui/utils.py |
get_magmoms |
4 |
1 |
0 |
75.00% |
| /builds/debichem-team/python-ase/ase/gui/utils.py |
(no function) |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/view.py |
get_cell_coordinates |
28 |
2 |
0 |
92.86% |
| /builds/debichem-team/python-ase/ase/gui/view.py |
get_bonds |
23 |
1 |
0 |
95.65% |
| /builds/debichem-team/python-ase/ase/gui/view.py |
View.__init__ |
14 |
2 |
0 |
85.71% |
| /builds/debichem-team/python-ase/ase/gui/view.py |
View.atoms |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/view.py |
View.set_frame |
14 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/view.py |
View.get_bonds |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/view.py |
View.set_atoms |
33 |
1 |
0 |
96.97% |
| /builds/debichem-team/python-ase/ase/gui/view.py |
View.showing_bonds |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/view.py |
View.showing_cell |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/view.py |
View.toggle_show_unit_cell |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/gui/view.py |
View.update_labels |
11 |
8 |
0 |
27.27% |
| /builds/debichem-team/python-ase/ase/gui/view.py |
View.show_labels |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/gui/view.py |
View.toggle_show_axes |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/gui/view.py |
View.toggle_show_bonds |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/gui/view.py |
View.toggle_show_velocities |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/gui/view.py |
View.get_forces |
6 |
3 |
0 |
50.00% |
| /builds/debichem-team/python-ase/ase/gui/view.py |
View.toggle_show_forces |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/gui/view.py |
View.hide_selected |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/gui/view.py |
View.show_selected |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/gui/view.py |
View.repeat_window |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/view.py |
View.rotate_window |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/view.py |
View.colors_window |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/view.py |
View.focus |
23 |
1 |
0 |
95.65% |
| /builds/debichem-team/python-ase/ase/gui/view.py |
View.reset_view |
3 |
3 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/gui/view.py |
View.set_view |
34 |
34 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/gui/view.py |
View.get_colors |
14 |
2 |
0 |
85.71% |
| /builds/debichem-team/python-ase/ase/gui/view.py |
View.get_color_scalars |
19 |
8 |
0 |
57.89% |
| /builds/debichem-team/python-ase/ase/gui/view.py |
View.get_covalent_radii |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/view.py |
View.draw |
82 |
11 |
0 |
86.59% |
| /builds/debichem-team/python-ase/ase/gui/view.py |
View.arrow |
14 |
14 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/gui/view.py |
View.draw_axes |
9 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/view.py |
View.draw_frame_number |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/view.py |
View.release |
46 |
46 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/gui/view.py |
View.press |
5 |
5 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/gui/view.py |
View.move |
28 |
28 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/gui/view.py |
View.render_window |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/view.py |
View.resize |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/view.py |
(no function) |
56 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/widgets.py |
Element.__init__ |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/widgets.py |
Element.z_entry |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/widgets.py |
Element.grab_focus |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/widgets.py |
Element.show_help |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/gui/widgets.py |
Element.Z |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/widgets.py |
Element.symbol |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/widgets.py |
Element.symbol |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/widgets.py |
Element.get_atoms |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/widgets.py |
Element._get |
14 |
6 |
0 |
57.14% |
| /builds/debichem-team/python-ase/ase/gui/widgets.py |
Element.enter |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/gui/widgets.py |
Element.error |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/widgets.py |
pybutton |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/widgets.py |
pywindow |
5 |
5 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/gui/widgets.py |
(no function) |
22 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/__init__.py |
(no function) |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/abinit.py |
read_abinit_in |
63 |
14 |
0 |
77.78% |
| /builds/debichem-team/python-ase/ase/io/abinit.py |
write_abinit_in |
97 |
18 |
0 |
81.44% |
| /builds/debichem-team/python-ase/ase/io/abinit.py |
write_list |
5 |
5 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/abinit.py |
read_stress |
11 |
1 |
0 |
90.91% |
| /builds/debichem-team/python-ase/ase/io/abinit.py |
consume_multiline |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/abinit.py |
read_abinit_out |
69 |
3 |
0 |
95.65% |
| /builds/debichem-team/python-ase/ase/io/abinit.py |
read_abinit_out.skipto |
4 |
1 |
0 |
75.00% |
| /builds/debichem-team/python-ase/ase/io/abinit.py |
read_abinit_out.read_array |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/abinit.py |
read_abinit_out.parse_energy |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/abinit.py |
match_kpt_header |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/abinit.py |
read_eigenvalues_for_one_spin |
21 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/abinit.py |
read_eig |
38 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/abinit.py |
get_default_abinit_pp_paths |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/abinit.py |
prepare_abinit_input |
11 |
2 |
0 |
81.82% |
| /builds/debichem-team/python-ase/ase/io/abinit.py |
read_abinit_outputs |
10 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/abinit.py |
read_abinit_gsr |
28 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/abinit.py |
read_abinit_gsr.addresult |
6 |
1 |
0 |
83.33% |
| /builds/debichem-team/python-ase/ase/io/abinit.py |
get_ppp_list |
65 |
24 |
0 |
63.08% |
| /builds/debichem-team/python-ase/ase/io/abinit.py |
(no function) |
26 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/acemolecule.py |
parse_geometry |
19 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/acemolecule.py |
read_acemolecule_out |
37 |
1 |
0 |
97.30% |
| /builds/debichem-team/python-ase/ase/io/acemolecule.py |
read_acemolecule_input |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/acemolecule.py |
(no function) |
9 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/aff.py |
(no function) |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/aims.py |
AimsParseError.__init__ |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/aims.py |
read_aims |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/aims.py |
parse_geometry_lines |
102 |
5 |
0 |
95.10% |
| /builds/debichem-team/python-ase/ase/io/aims.py |
get_aims_header |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/aims.py |
_write_velocities_alias |
9 |
5 |
0 |
44.44% |
| /builds/debichem-team/python-ase/ase/io/aims.py |
write_aims |
67 |
5 |
0 |
92.54% |
| /builds/debichem-team/python-ase/ase/io/aims.py |
get_sym_block |
44 |
9 |
0 |
79.55% |
| /builds/debichem-team/python-ase/ase/io/aims.py |
format_aims_control_parameter |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/aims.py |
write_control |
59 |
9 |
0 |
84.75% |
| /builds/debichem-team/python-ase/ase/io/aims.py |
get_species_directory |
8 |
3 |
0 |
62.50% |
| /builds/debichem-team/python-ase/ase/io/aims.py |
write_species |
5 |
2 |
0 |
60.00% |
| /builds/debichem-team/python-ase/ase/io/aims.py |
parse_species_path |
9 |
1 |
0 |
88.89% |
| /builds/debichem-team/python-ase/ase/io/aims.py |
manipulate_tiers |
16 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/aims.py |
AimsOutChunk.__init__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/aims.py |
AimsOutChunk.reverse_search_for |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/aims.py |
AimsOutChunk.search_for_all |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/aims.py |
AimsOutChunk.parse_scalar |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/aims.py |
AimsOutHeaderChunk.__init__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/aims.py |
AimsOutHeaderChunk.constraints |
31 |
2 |
0 |
93.55% |
| /builds/debichem-team/python-ase/ase/io/aims.py |
AimsOutHeaderChunk.initial_cell |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/aims.py |
AimsOutHeaderChunk.initial_atoms |
17 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/aims.py |
AimsOutHeaderChunk.is_md |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/aims.py |
AimsOutHeaderChunk.is_relaxation |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/aims.py |
AimsOutHeaderChunk._k_points |
14 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/aims.py |
AimsOutHeaderChunk.n_atoms |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/aims.py |
AimsOutHeaderChunk.n_bands |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/aims.py |
AimsOutHeaderChunk.n_electrons |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/aims.py |
AimsOutHeaderChunk.n_k_points |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/aims.py |
AimsOutHeaderChunk.n_spins |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/aims.py |
AimsOutHeaderChunk.electronic_temperature |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/aims.py |
AimsOutHeaderChunk.k_points |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/aims.py |
AimsOutHeaderChunk.k_point_weights |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/aims.py |
AimsOutHeaderChunk.header_summary |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/aims.py |
AimsOutCalcChunk.__init__ |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/aims.py |
AimsOutCalcChunk._atoms |
30 |
1 |
0 |
96.67% |
| /builds/debichem-team/python-ase/ase/io/aims.py |
AimsOutCalcChunk.forces |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/aims.py |
AimsOutCalcChunk.stresses |
9 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/aims.py |
AimsOutCalcChunk.stress |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/aims.py |
AimsOutCalcChunk.is_metallic |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/aims.py |
AimsOutCalcChunk.total_energy |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/aims.py |
AimsOutCalcChunk.dipole |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/aims.py |
AimsOutCalcChunk.dielectric_tensor |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/aims.py |
AimsOutCalcChunk.polarization |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/aims.py |
AimsOutCalcChunk._hirshfeld |
14 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/aims.py |
AimsOutCalcChunk._eigenvalues |
41 |
10 |
0 |
75.61% |
| /builds/debichem-team/python-ase/ase/io/aims.py |
AimsOutCalcChunk.atoms |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/aims.py |
AimsOutCalcChunk.results |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/aims.py |
AimsOutCalcChunk.initial_atoms |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/aims.py |
AimsOutCalcChunk.initial_cell |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/aims.py |
AimsOutCalcChunk.constraints |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/aims.py |
AimsOutCalcChunk.n_atoms |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/aims.py |
AimsOutCalcChunk.n_bands |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/aims.py |
AimsOutCalcChunk.n_electrons |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/aims.py |
AimsOutCalcChunk.n_spins |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/aims.py |
AimsOutCalcChunk.electronic_temperature |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/aims.py |
AimsOutCalcChunk.n_k_points |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/aims.py |
AimsOutCalcChunk.k_points |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/aims.py |
AimsOutCalcChunk.k_point_weights |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/aims.py |
AimsOutCalcChunk.free_energy |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/aims.py |
AimsOutCalcChunk.n_iter |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/aims.py |
AimsOutCalcChunk.magmom |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/aims.py |
AimsOutCalcChunk.E_f |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/aims.py |
AimsOutCalcChunk.converged |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/aims.py |
AimsOutCalcChunk.hirshfeld_charges |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/aims.py |
AimsOutCalcChunk.hirshfeld_atomic_dipoles |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/aims.py |
AimsOutCalcChunk.hirshfeld_volumes |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/aims.py |
AimsOutCalcChunk.hirshfeld_dipole |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/aims.py |
AimsOutCalcChunk.eigenvalues |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/aims.py |
AimsOutCalcChunk.occupancies |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/aims.py |
get_header_chunk |
9 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/aims.py |
get_aims_out_chunks |
26 |
2 |
0 |
92.31% |
| /builds/debichem-team/python-ase/ase/io/aims.py |
check_convergence |
3 |
1 |
0 |
66.67% |
| /builds/debichem-team/python-ase/ase/io/aims.py |
read_aims_output |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/aims.py |
read_aims_results |
6 |
1 |
0 |
83.33% |
| /builds/debichem-team/python-ase/ase/io/aims.py |
(no function) |
153 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/amber.py |
write_amber_coordinates |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/amber.py |
read_amber_coordinates |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/amber.py |
_write_amber_coordinates |
37 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/amber.py |
_read_amber_coordinates |
40 |
12 |
0 |
70.00% |
| /builds/debichem-team/python-ase/ase/io/amber.py |
(no function) |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/animation.py |
write_animation |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/animation.py |
(no function) |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/bader.py |
attach_charges |
38 |
7 |
0 |
81.58% |
| /builds/debichem-team/python-ase/ase/io/bader.py |
(no function) |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/bundlemanipulate.py |
copy_frames |
81 |
81 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/bundlemanipulate.py |
read_bundle_info |
18 |
18 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/bundlemanipulate.py |
(no function) |
23 |
15 |
0 |
34.78% |
| /builds/debichem-team/python-ase/ase/io/bundletrajectory.py |
BundleTrajectory.__init__ |
17 |
2 |
0 |
88.24% |
| /builds/debichem-team/python-ase/ase/io/bundletrajectory.py |
BundleTrajectory._set_defaults |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/bundletrajectory.py |
BundleTrajectory._set_backend |
5 |
1 |
0 |
80.00% |
| /builds/debichem-team/python-ase/ase/io/bundletrajectory.py |
BundleTrajectory.write |
9 |
2 |
0 |
77.78% |
| /builds/debichem-team/python-ase/ase/io/bundletrajectory.py |
BundleTrajectory._write_atoms |
71 |
17 |
0 |
76.06% |
| /builds/debichem-team/python-ase/ase/io/bundletrajectory.py |
BundleTrajectory.select_data |
5 |
2 |
0 |
60.00% |
| /builds/debichem-team/python-ase/ase/io/bundletrajectory.py |
BundleTrajectory.set_extra_data |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/bundletrajectory.py |
BundleTrajectory.close |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/bundletrajectory.py |
BundleTrajectory.log |
12 |
2 |
0 |
83.33% |
| /builds/debichem-team/python-ase/ase/io/bundletrajectory.py |
BundleTrajectory.__getitem__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/bundletrajectory.py |
BundleTrajectory._read |
33 |
6 |
0 |
81.82% |
| /builds/debichem-team/python-ase/ase/io/bundletrajectory.py |
BundleTrajectory.read_extra_data |
9 |
9 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/bundletrajectory.py |
BundleTrajectory._read_data |
14 |
9 |
0 |
35.71% |
| /builds/debichem-team/python-ase/ase/io/bundletrajectory.py |
BundleTrajectory.__len__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/bundletrajectory.py |
BundleTrajectory._open_log |
11 |
2 |
0 |
81.82% |
| /builds/debichem-team/python-ase/ase/io/bundletrajectory.py |
BundleTrajectory._open_write |
31 |
19 |
0 |
38.71% |
| /builds/debichem-team/python-ase/ase/io/bundletrajectory.py |
BundleTrajectory._open_read |
25 |
7 |
0 |
72.00% |
| /builds/debichem-team/python-ase/ase/io/bundletrajectory.py |
BundleTrajectory._open_append |
22 |
3 |
0 |
86.36% |
| /builds/debichem-team/python-ase/ase/io/bundletrajectory.py |
BundleTrajectory.path |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/bundletrajectory.py |
BundleTrajectory.metadata_path |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/bundletrajectory.py |
BundleTrajectory._write_nframes |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/bundletrajectory.py |
BundleTrajectory._read_nframes |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/bundletrajectory.py |
BundleTrajectory._write_metadata |
12 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/bundletrajectory.py |
BundleTrajectory._read_metadata |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/bundletrajectory.py |
BundleTrajectory.is_bundle |
13 |
5 |
0 |
61.54% |
| /builds/debichem-team/python-ase/ase/io/bundletrajectory.py |
BundleTrajectory.is_empty_bundle |
6 |
1 |
0 |
83.33% |
| /builds/debichem-team/python-ase/ase/io/bundletrajectory.py |
BundleTrajectory.delete_bundle |
9 |
9 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/bundletrajectory.py |
BundleTrajectory._rename_bundle |
5 |
5 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/bundletrajectory.py |
BundleTrajectory._make_bundledir |
11 |
6 |
0 |
45.45% |
| /builds/debichem-team/python-ase/ase/io/bundletrajectory.py |
BundleTrajectory._make_framedir |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/bundletrajectory.py |
BundleTrajectory.pre_write_attach |
3 |
3 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/bundletrajectory.py |
BundleTrajectory.post_write_attach |
3 |
3 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/bundletrajectory.py |
BundleTrajectory._call_observers |
3 |
2 |
0 |
33.33% |
| /builds/debichem-team/python-ase/ase/io/bundletrajectory.py |
UlmBundleBackend.__init__ |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/bundletrajectory.py |
UlmBundleBackend.write_small |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/bundletrajectory.py |
UlmBundleBackend.write |
25 |
3 |
0 |
88.00% |
| /builds/debichem-team/python-ase/ase/io/bundletrajectory.py |
UlmBundleBackend.read_small |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/bundletrajectory.py |
UlmBundleBackend.read |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/bundletrajectory.py |
UlmBundleBackend.read_info |
23 |
14 |
0 |
39.13% |
| /builds/debichem-team/python-ase/ase/io/bundletrajectory.py |
UlmBundleBackend.set_fragments |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/bundletrajectory.py |
UlmBundleBackend.read_split |
8 |
8 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/bundletrajectory.py |
UlmBundleBackend.close |
0 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/bundletrajectory.py |
read_bundletrajectory |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/bundletrajectory.py |
write_bundletrajectory |
13 |
1 |
0 |
92.31% |
| /builds/debichem-team/python-ase/ase/io/bundletrajectory.py |
print_bundletrajectory_info |
54 |
6 |
0 |
88.89% |
| /builds/debichem-team/python-ase/ase/io/bundletrajectory.py |
main |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/bundletrajectory.py |
(no function) |
67 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/bytes.py |
to_bytes |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/bytes.py |
_to_buffer |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/bytes.py |
parse_images |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/bytes.py |
parse_atoms |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/bytes.py |
(no function) |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/castep/__init__.py |
write_freeform |
9 |
1 |
0 |
88.89% |
| /builds/debichem-team/python-ase/ase/io/castep/__init__.py |
write_castep_cell |
76 |
10 |
0 |
86.84% |
| /builds/debichem-team/python-ase/ase/io/castep/__init__.py |
_make_block_ionic_constraints |
34 |
1 |
0 |
97.06% |
| /builds/debichem-team/python-ase/ase/io/castep/__init__.py |
_is_constraint_valid |
8 |
4 |
0 |
50.00% |
| /builds/debichem-team/python-ase/ase/io/castep/__init__.py |
_calc_normal_vectors |
11 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/castep/__init__.py |
read_freeform |
28 |
4 |
0 |
85.71% |
| /builds/debichem-team/python-ase/ase/io/castep/__init__.py |
read_castep_cell |
167 |
59 |
0 |
64.67% |
| /builds/debichem-team/python-ase/ase/io/castep/__init__.py |
read_castep_cell.parse_blockunit |
8 |
5 |
0 |
37.50% |
| /builds/debichem-team/python-ase/ase/io/castep/__init__.py |
read_castep_cell.parse_info |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/castep/__init__.py |
read_geom |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/castep/__init__.py |
read_castep_geom |
27 |
27 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/castep/__init__.py |
read_phonon |
5 |
5 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/castep/__init__.py |
read_castep_phonon |
69 |
69 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/castep/__init__.py |
read_md |
5 |
5 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/castep/__init__.py |
read_castep_md |
97 |
97 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/castep/__init__.py |
read_param |
26 |
26 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/castep/__init__.py |
write_param |
28 |
7 |
0 |
75.00% |
| /builds/debichem-team/python-ase/ase/io/castep/__init__.py |
read_seed |
22 |
22 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/castep/__init__.py |
read_bands |
19 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/castep/__init__.py |
read_bands._kptline_to_i_k_wt |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/castep/__init__.py |
(no function) |
41 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/castep/castep_input_file.py |
_parse_tss_block |
18 |
8 |
0 |
55.56% |
| /builds/debichem-team/python-ase/ase/io/castep/castep_input_file.py |
CastepOption.__init__ |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/castep/castep_input_file.py |
CastepOption.value |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/castep/castep_input_file.py |
CastepOption.raw_value |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/castep/castep_input_file.py |
CastepOption.value |
9 |
2 |
0 |
77.78% |
| /builds/debichem-team/python-ase/ase/io/castep/castep_input_file.py |
CastepOption.clear |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/castep/castep_input_file.py |
CastepOption._parse_bool |
5 |
2 |
0 |
60.00% |
| /builds/debichem-team/python-ase/ase/io/castep/castep_input_file.py |
CastepOption._parse_str |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/castep/castep_input_file.py |
CastepOption._parse_int |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/castep/castep_input_file.py |
CastepOption._parse_float |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/castep/castep_input_file.py |
CastepOption._parse_int_vector |
8 |
2 |
0 |
75.00% |
| /builds/debichem-team/python-ase/ase/io/castep/castep_input_file.py |
CastepOption._parse_float_vector |
8 |
2 |
0 |
75.00% |
| /builds/debichem-team/python-ase/ase/io/castep/castep_input_file.py |
CastepOption._parse_float_physical |
19 |
10 |
0 |
47.37% |
| /builds/debichem-team/python-ase/ase/io/castep/castep_input_file.py |
CastepOption._parse_block |
5 |
1 |
0 |
80.00% |
| /builds/debichem-team/python-ase/ase/io/castep/castep_input_file.py |
CastepOption.__repr__ |
4 |
4 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/castep/castep_input_file.py |
CastepOption.__eq__ |
3 |
1 |
0 |
66.67% |
| /builds/debichem-team/python-ase/ase/io/castep/castep_input_file.py |
CastepOptionDict.__init__ |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/castep/castep_input_file.py |
CastepInputFile.__init__ |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/castep/castep_input_file.py |
CastepInputFile.__repr__ |
10 |
10 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/castep/castep_input_file.py |
CastepInputFile.__setattr__ |
34 |
5 |
0 |
85.29% |
| /builds/debichem-team/python-ase/ase/io/castep/castep_input_file.py |
CastepInputFile.__getattr__ |
5 |
1 |
0 |
80.00% |
| /builds/debichem-team/python-ase/ase/io/castep/castep_input_file.py |
CastepInputFile.get_attr_dict |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/castep/castep_input_file.py |
CastepParam.__init__ |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/castep/castep_input_file.py |
CastepParam.castep_version |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/castep/castep_input_file.py |
CastepParam._parse_reuse |
9 |
3 |
0 |
66.67% |
| /builds/debichem-team/python-ase/ase/io/castep/castep_input_file.py |
CastepParam._parse_continuation |
9 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/castep/castep_input_file.py |
CastepCell.__init__ |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/castep/castep_input_file.py |
CastepCell.castep_version |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/castep/castep_input_file.py |
CastepCell._parse_species_pot |
14 |
2 |
0 |
85.71% |
| /builds/debichem-team/python-ase/ase/io/castep/castep_input_file.py |
CastepCell._parse_symmetry_ops |
10 |
2 |
0 |
80.00% |
| /builds/debichem-team/python-ase/ase/io/castep/castep_input_file.py |
CastepCell._parse_positions_abs_intermediate |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/castep/castep_input_file.py |
CastepCell._parse_positions_abs_product |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/castep/castep_input_file.py |
CastepCell._parse_positions_frac_intermediate |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/castep/castep_input_file.py |
CastepCell._parse_positions_frac_product |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/castep/castep_input_file.py |
ConversionError.__init__ |
4 |
4 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/castep/castep_input_file.py |
ConversionError.__str__ |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/castep/castep_input_file.py |
(no function) |
66 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/castep/castep_reader.py |
read_castep_castep |
117 |
16 |
0 |
86.32% |
| /builds/debichem-team/python-ase/ase/io/castep/castep_reader.py |
_find_last_record |
18 |
2 |
0 |
88.89% |
| /builds/debichem-team/python-ase/ase/io/castep/castep_reader.py |
_read_header |
47 |
7 |
0 |
85.11% |
| /builds/debichem-team/python-ase/ase/io/castep/castep_reader.py |
_read_header._parse_on_off |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/castep/castep_reader.py |
_read_unit_cell |
10 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/castep/castep_reader.py |
_read_forces |
21 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/castep/castep_reader.py |
_read_fractional_coordinates |
19 |
2 |
0 |
89.47% |
| /builds/debichem-team/python-ase/ase/io/castep/castep_reader.py |
_read_stress |
16 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/castep/castep_reader.py |
_add_atoms |
13 |
3 |
0 |
76.92% |
| /builds/debichem-team/python-ase/ase/io/castep/castep_reader.py |
_read_mulliken_charges |
15 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/castep/castep_reader.py |
_read_hirshfeld_details |
10 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/castep/castep_reader.py |
_read_hirshfeld_charges |
14 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/castep/castep_reader.py |
_set_energy_and_free_energy |
12 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/castep/castep_reader.py |
(no function) |
24 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/cfg.py |
write_cfg |
46 |
4 |
0 |
91.30% |
| /builds/debichem-team/python-ase/ase/io/cfg.py |
write_clr |
17 |
17 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/cfg.py |
read_cfg |
89 |
15 |
0 |
83.15% |
| /builds/debichem-team/python-ase/ase/io/cfg.py |
(no function) |
12 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/cif.py |
convert_value |
13 |
2 |
0 |
84.62% |
| /builds/debichem-team/python-ase/ase/io/cif.py |
parse_multiline_string |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/cif.py |
parse_singletag |
11 |
2 |
0 |
81.82% |
| /builds/debichem-team/python-ase/ase/io/cif.py |
parse_cif_loop_headers |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/cif.py |
parse_cif_loop_data |
28 |
2 |
0 |
92.86% |
| /builds/debichem-team/python-ase/ase/io/cif.py |
parse_loop |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/cif.py |
parse_items |
23 |
3 |
0 |
86.96% |
| /builds/debichem-team/python-ase/ase/io/cif.py |
CIFBlock.__init__ |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/cif.py |
CIFBlock.__repr__ |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/cif.py |
CIFBlock.__getitem__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/cif.py |
CIFBlock.__iter__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/cif.py |
CIFBlock.__len__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/cif.py |
CIFBlock.get |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/cif.py |
CIFBlock.get_cellpar |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/cif.py |
CIFBlock.get_cell |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/cif.py |
CIFBlock._raw_scaled_positions |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/cif.py |
CIFBlock._raw_positions |
4 |
1 |
0 |
75.00% |
| /builds/debichem-team/python-ase/ase/io/cif.py |
CIFBlock._get_site_coordinates |
7 |
1 |
0 |
85.71% |
| /builds/debichem-team/python-ase/ase/io/cif.py |
CIFBlock._get_symbols_with_deuterium |
11 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/cif.py |
CIFBlock.get_symbols |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/cif.py |
CIFBlock._where_deuterium |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/cif.py |
CIFBlock._get_masses |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/cif.py |
CIFBlock._get_any |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/cif.py |
CIFBlock._get_spacegroup_number |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/cif.py |
CIFBlock._get_spacegroup_name |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/cif.py |
CIFBlock._get_sitesym |
4 |
1 |
0 |
75.00% |
| /builds/debichem-team/python-ase/ase/io/cif.py |
CIFBlock._get_fractional_occupancies |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/cif.py |
CIFBlock._get_setting |
7 |
4 |
0 |
42.86% |
| /builds/debichem-team/python-ase/ase/io/cif.py |
CIFBlock.get_spacegroup |
36 |
6 |
0 |
83.33% |
| /builds/debichem-team/python-ase/ase/io/cif.py |
CIFBlock.get_unsymmetrized_structure |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/cif.py |
CIFBlock.has_structure |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/cif.py |
CIFBlock.get_atoms |
23 |
2 |
0 |
91.30% |
| /builds/debichem-team/python-ase/ase/io/cif.py |
parse_block |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/cif.py |
parse_cif |
5 |
3 |
0 |
40.00% |
| /builds/debichem-team/python-ase/ase/io/cif.py |
parse_cif_ase |
16 |
1 |
0 |
93.75% |
| /builds/debichem-team/python-ase/ase/io/cif.py |
parse_cif_pycodcif |
15 |
15 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/cif.py |
iread_cif |
12 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/cif.py |
read_cif |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/cif.py |
format_cell |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/cif.py |
format_generic_spacegroup_info |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/cif.py |
CIFLoop.__init__ |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/cif.py |
CIFLoop.add |
6 |
1 |
0 |
83.33% |
| /builds/debichem-team/python-ase/ase/io/cif.py |
CIFLoop.tostring |
14 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/cif.py |
write_cif |
13 |
1 |
0 |
92.31% |
| /builds/debichem-team/python-ase/ase/io/cif.py |
autolabel |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/cif.py |
chemical_formula_header |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/cif.py |
expand_kinds |
18 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/cif.py |
atoms_to_loop_data |
26 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/cif.py |
write_cif_image |
18 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/cif.py |
(no function) |
74 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/cif_unicode.py |
replace_subscript |
16 |
4 |
0 |
75.00% |
| /builds/debichem-team/python-ase/ase/io/cif_unicode.py |
multiple_replace |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/cif_unicode.py |
multiple_replace.one_xlat |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/cif_unicode.py |
format_unicode |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/cif_unicode.py |
handle_subscripts |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/cif_unicode.py |
(no function) |
9 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/cjson.py |
contract |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/cjson.py |
read_cjson |
21 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/cjson.py |
(no function) |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/cmdft.py |
read_cmdft |
11 |
11 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/cmdft.py |
(no function) |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/cp2k.py |
_bytes_per_timestep |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/cp2k.py |
_read_metainfo |
19 |
3 |
0 |
84.21% |
| /builds/debichem-team/python-ase/ase/io/cp2k.py |
DCDChunk.__init__ |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/cp2k.py |
DCDChunk.build |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/cp2k.py |
idcdchunks |
9 |
1 |
0 |
88.89% |
| /builds/debichem-team/python-ase/ase/io/cp2k.py |
DCDImageIterator.__init__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/cp2k.py |
DCDImageIterator.__call__ |
8 |
3 |
0 |
62.50% |
| /builds/debichem-team/python-ase/ase/io/cp2k.py |
DCDImageIterator._getslice |
7 |
4 |
0 |
42.86% |
| /builds/debichem-team/python-ase/ase/io/cp2k.py |
read_cp2k_dcd |
12 |
1 |
0 |
91.67% |
| /builds/debichem-team/python-ase/ase/io/cp2k.py |
_read_cp2k_dcd_frame |
17 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/cp2k.py |
read_cp2k_restart |
9 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/cp2k.py |
read_cp2k_restart._parse_section |
10 |
1 |
0 |
90.00% |
| /builds/debichem-team/python-ase/ase/io/cp2k.py |
read_cp2k_restart._fast_forward_to |
8 |
1 |
0 |
87.50% |
| /builds/debichem-team/python-ase/ase/io/cp2k.py |
read_cp2k_restart._read_cell |
14 |
1 |
0 |
92.86% |
| /builds/debichem-team/python-ase/ase/io/cp2k.py |
read_cp2k_restart._read_geometry |
10 |
1 |
0 |
90.00% |
| /builds/debichem-team/python-ase/ase/io/cp2k.py |
(no function) |
24 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/crystal.py |
write_crystal |
29 |
6 |
0 |
79.31% |
| /builds/debichem-team/python-ase/ase/io/crystal.py |
read_crystal |
31 |
8 |
0 |
74.19% |
| /builds/debichem-team/python-ase/ase/io/crystal.py |
(no function) |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/cube.py |
write_cube |
23 |
2 |
0 |
91.30% |
| /builds/debichem-team/python-ase/ase/io/cube.py |
read_cube |
67 |
9 |
0 |
86.57% |
| /builds/debichem-team/python-ase/ase/io/cube.py |
read_cube_data |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/cube.py |
(no function) |
11 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/dacapo.py |
read_dacapo_text |
28 |
28 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/dacapo.py |
(no function) |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/db.py |
read_db |
17 |
4 |
0 |
76.47% |
| /builds/debichem-team/python-ase/ase/io/db.py |
write_db |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/db.py |
(no function) |
10 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/dftb.py |
read_dftb |
65 |
5 |
0 |
92.31% |
| /builds/debichem-team/python-ase/ase/io/dftb.py |
read_dftb_velocities |
16 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/dftb.py |
read_dftb_lattice |
26 |
4 |
0 |
84.62% |
| /builds/debichem-team/python-ase/ase/io/dftb.py |
write_dftb |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/dftb.py |
write_dftb_velocities |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/dftb.py |
(no function) |
12 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/dlp4.py |
_get_frame_positions |
13 |
1 |
0 |
92.31% |
| /builds/debichem-team/python-ase/ase/io/dlp4.py |
read_dlp_history |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/dlp4.py |
iread_dlp_history |
11 |
1 |
0 |
90.91% |
| /builds/debichem-team/python-ase/ase/io/dlp4.py |
read_dlp4 |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/dlp4.py |
read_single_image |
57 |
6 |
0 |
89.47% |
| /builds/debichem-team/python-ase/ase/io/dlp4.py |
write_dlp4 |
30 |
8 |
0 |
73.33% |
| /builds/debichem-team/python-ase/ase/io/dlp4.py |
write_dlp4.float_format |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/dlp4.py |
(no function) |
26 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/dmol.py |
write_dmol_car |
20 |
1 |
0 |
95.00% |
| /builds/debichem-team/python-ase/ase/io/dmol.py |
read_dmol_car |
21 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/dmol.py |
write_dmol_incoor |
15 |
3 |
0 |
80.00% |
| /builds/debichem-team/python-ase/ase/io/dmol.py |
read_dmol_incoor |
22 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/dmol.py |
write_dmol_arc |
25 |
2 |
0 |
92.00% |
| /builds/debichem-team/python-ase/ase/io/dmol.py |
read_dmol_arc |
33 |
3 |
0 |
90.91% |
| /builds/debichem-team/python-ase/ase/io/dmol.py |
(no function) |
18 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/elk.py |
read_elk |
55 |
1 |
0 |
98.18% |
| /builds/debichem-team/python-ase/ase/io/elk.py |
write_elk_in |
78 |
32 |
0 |
58.97% |
| /builds/debichem-team/python-ase/ase/io/elk.py |
ElkReader.__init__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/elk.py |
ElkReader._read_everything |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/elk.py |
ElkReader.read_everything |
17 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/elk.py |
ElkReader._read_energy |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/elk.py |
parse_elk_kpoints |
13 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/elk.py |
parse_elk_info |
28 |
2 |
0 |
92.86% |
| /builds/debichem-team/python-ase/ase/io/elk.py |
parse_elk_eigval |
26 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/elk.py |
parse_elk_eigval.match_int |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/elk.py |
parse_elk_eigval.skip_spaces |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/elk.py |
(no function) |
19 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/eon.py |
process_header |
9 |
1 |
0 |
88.89% |
| /builds/debichem-team/python-ase/ase/io/eon.py |
make_atoms |
18 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/eon.py |
read_eon |
14 |
1 |
0 |
92.86% |
| /builds/debichem-team/python-ase/ase/io/eon.py |
write_eon |
45 |
3 |
0 |
93.33% |
| /builds/debichem-team/python-ase/ase/io/eon.py |
(no function) |
23 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/eps.py |
EPS.__init__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/eps.py |
EPS.write |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/eps.py |
EPS.write_header |
18 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/eps.py |
EPS._renderer |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/eps.py |
EPS.write_body |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/eps.py |
EPS.write_trailer |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/eps.py |
write_eps |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/eps.py |
(no function) |
13 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/espresso.py |
read_espresso_out |
150 |
12 |
0 |
92.00% |
| /builds/debichem-team/python-ase/ase/io/espresso.py |
parse_pwo_start |
20 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/espresso.py |
parse_position_line |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/espresso.py |
read_espresso_in |
28 |
5 |
0 |
82.14% |
| /builds/debichem-team/python-ase/ase/io/espresso.py |
get_atomic_positions |
26 |
7 |
0 |
73.08% |
| /builds/debichem-team/python-ase/ase/io/espresso.py |
get_atomic_species |
11 |
1 |
0 |
90.91% |
| /builds/debichem-team/python-ase/ase/io/espresso.py |
get_cell_parameters |
28 |
15 |
0 |
46.43% |
| /builds/debichem-team/python-ase/ase/io/espresso.py |
convert_constraint_flags |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/espresso.py |
canonicalize_constraints |
12 |
1 |
0 |
91.67% |
| /builds/debichem-team/python-ase/ase/io/espresso.py |
str_to_value |
17 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/espresso.py |
read_fortran_namelist |
40 |
1 |
0 |
97.50% |
| /builds/debichem-team/python-ase/ase/io/espresso.py |
ffloat |
3 |
1 |
0 |
66.67% |
| /builds/debichem-team/python-ase/ase/io/espresso.py |
label_to_symbol |
8 |
1 |
0 |
87.50% |
| /builds/debichem-team/python-ase/ase/io/espresso.py |
infix_float |
6 |
2 |
0 |
66.67% |
| /builds/debichem-team/python-ase/ase/io/espresso.py |
infix_float.middle_brackets |
8 |
8 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/espresso.py |
infix_float.eval_no_bracket_expr |
9 |
5 |
0 |
44.44% |
| /builds/debichem-team/python-ase/ase/io/espresso.py |
kspacing_to_grid |
8 |
8 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/espresso.py |
format_atom_position |
13 |
1 |
0 |
92.31% |
| /builds/debichem-team/python-ase/ase/io/espresso.py |
write_espresso_in |
111 |
20 |
0 |
81.98% |
| /builds/debichem-team/python-ase/ase/io/espresso.py |
write_espresso_ph |
19 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/espresso.py |
read_espresso_ph |
67 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/espresso.py |
read_espresso_ph._read_qpoints |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/espresso.py |
read_espresso_ph._read_kpoints |
6 |
1 |
0 |
83.33% |
| /builds/debichem-team/python-ase/ase/io/espresso.py |
read_espresso_ph._read_repr |
14 |
4 |
0 |
71.43% |
| /builds/debichem-team/python-ase/ase/io/espresso.py |
read_espresso_ph._read_modes |
8 |
8 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/espresso.py |
read_espresso_ph._read_eqpoints |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/espresso.py |
read_espresso_ph._read_freqs |
11 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/espresso.py |
read_espresso_ph._read_sym |
9 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/espresso.py |
read_espresso_ph._read_epsil |
5 |
5 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/espresso.py |
read_espresso_ph._read_born |
12 |
12 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/espresso.py |
read_espresso_ph._read_born_dfpt |
12 |
12 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/espresso.py |
read_espresso_ph._read_pola |
5 |
5 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/espresso.py |
read_espresso_ph._read_positions |
10 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/espresso.py |
read_espresso_ph._read_alat |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/espresso.py |
read_espresso_ph._read_cell |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/espresso.py |
read_espresso_ph._read_electron_phonon |
35 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/espresso.py |
write_fortran_namelist |
11 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/espresso.py |
construct_namelist |
46 |
46 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/espresso.py |
namelist_to_string |
14 |
14 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/espresso.py |
(no function) |
63 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/espresso_namelist/__init__.py |
(no function) |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/espresso_namelist/keys.py |
(no function) |
36 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/espresso_namelist/namelist.py |
Namelist.__getitem__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/espresso_namelist/namelist.py |
Namelist.__setitem__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/espresso_namelist/namelist.py |
Namelist.__delitem__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/espresso_namelist/namelist.py |
Namelist.search_key |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/espresso_namelist/namelist.py |
Namelist.to_string |
16 |
1 |
0 |
93.75% |
| /builds/debichem-team/python-ase/ase/io/espresso_namelist/namelist.py |
Namelist.to_nested |
26 |
2 |
0 |
92.31% |
| /builds/debichem-team/python-ase/ase/io/espresso_namelist/namelist.py |
Namelist.to_nested.sorting_rule |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/espresso_namelist/namelist.py |
(no function) |
14 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/exciting.py |
parse_output |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/exciting.py |
write_input_xml_file |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/exciting.py |
ase_atoms_from_exciting_input_xml |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/exciting.py |
(no function) |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/extxyz.py |
key_val_str_to_dict |
65 |
3 |
0 |
95.38% |
| /builds/debichem-team/python-ase/ase/io/extxyz.py |
key_val_str_to_dict_regex |
43 |
43 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/extxyz.py |
escape |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/extxyz.py |
key_val_dict_to_str |
26 |
3 |
0 |
88.46% |
| /builds/debichem-team/python-ase/ase/io/extxyz.py |
key_val_dict_to_str.array_to_string |
8 |
1 |
0 |
87.50% |
| /builds/debichem-team/python-ase/ase/io/extxyz.py |
key_val_dict_to_str.known_types_to_str |
7 |
1 |
0 |
85.71% |
| /builds/debichem-team/python-ase/ase/io/extxyz.py |
parse_properties |
22 |
1 |
0 |
95.45% |
| /builds/debichem-team/python-ase/ase/io/extxyz.py |
parse_properties.parse_bool |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/extxyz.py |
_read_xyz_frame |
78 |
12 |
0 |
84.62% |
| /builds/debichem-team/python-ase/ase/io/extxyz.py |
set_calc_and_arrays |
14 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/extxyz.py |
XYZChunk.__init__ |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/extxyz.py |
XYZChunk.build |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/extxyz.py |
ixyzchunks |
11 |
11 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/extxyz.py |
read_xyz |
45 |
10 |
0 |
77.78% |
| /builds/debichem-team/python-ase/ase/io/extxyz.py |
output_column_format |
35 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/extxyz.py |
write_xyz |
89 |
7 |
0 |
92.13% |
| /builds/debichem-team/python-ase/ase/io/extxyz.py |
save_calc_results |
23 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/extxyz.py |
(no function) |
51 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/findsym.py |
write_findsym |
21 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/findsym.py |
(no function) |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/formats.py |
IOFormat.__init__ |
12 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/formats.py |
IOFormat.open |
12 |
12 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/formats.py |
IOFormat._buf_as_filelike |
9 |
3 |
0 |
66.67% |
| /builds/debichem-team/python-ase/ase/io/formats.py |
IOFormat._ioclass |
3 |
1 |
0 |
66.67% |
| /builds/debichem-team/python-ase/ase/io/formats.py |
IOFormat.parse_images |
6 |
2 |
0 |
66.67% |
| /builds/debichem-team/python-ase/ase/io/formats.py |
IOFormat.parse_atoms |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/formats.py |
IOFormat.can_read |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/formats.py |
IOFormat.can_write |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/formats.py |
IOFormat.can_append |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/formats.py |
IOFormat.__repr__ |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/formats.py |
IOFormat.__getitem__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/formats.py |
IOFormat.single |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/formats.py |
IOFormat._formatname |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/formats.py |
IOFormat._readfunc |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/formats.py |
IOFormat._writefunc |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/formats.py |
IOFormat.read |
4 |
2 |
0 |
50.00% |
| /builds/debichem-team/python-ase/ase/io/formats.py |
IOFormat._read_wrapper |
7 |
2 |
0 |
71.43% |
| /builds/debichem-team/python-ase/ase/io/formats.py |
IOFormat._warn_none |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/formats.py |
IOFormat.write |
4 |
2 |
0 |
50.00% |
| /builds/debichem-team/python-ase/ase/io/formats.py |
IOFormat._write_wrapper |
4 |
1 |
0 |
75.00% |
| /builds/debichem-team/python-ase/ase/io/formats.py |
IOFormat.modes |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/formats.py |
IOFormat.full_description |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/formats.py |
IOFormat.acceptsfd |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/formats.py |
IOFormat.isbinary |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/formats.py |
IOFormat.module |
4 |
2 |
0 |
50.00% |
| /builds/debichem-team/python-ase/ase/io/formats.py |
IOFormat.match_name |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/formats.py |
IOFormat.match_magic |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/formats.py |
define_io_format |
18 |
1 |
0 |
94.44% |
| /builds/debichem-team/python-ase/ase/io/formats.py |
define_io_format.normalize_patterns |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/formats.py |
get_ioformat |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/formats.py |
register_external_io_formats |
8 |
5 |
0 |
37.50% |
| /builds/debichem-team/python-ase/ase/io/formats.py |
define_external_io_format |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/formats.py |
get_compression |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/formats.py |
open_with_compression |
17 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/formats.py |
is_compressed |
11 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/formats.py |
wrap_read_function |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/formats.py |
write |
21 |
4 |
0 |
80.95% |
| /builds/debichem-team/python-ase/ase/io/formats.py |
_write |
30 |
4 |
0 |
86.67% |
| /builds/debichem-team/python-ase/ase/io/formats.py |
read |
17 |
3 |
0 |
82.35% |
| /builds/debichem-team/python-ase/ase/io/formats.py |
iread |
12 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/formats.py |
_iread |
25 |
1 |
0 |
96.00% |
| /builds/debichem-team/python-ase/ase/io/formats.py |
parse_filename |
14 |
1 |
0 |
92.86% |
| /builds/debichem-team/python-ase/ase/io/formats.py |
match_magic |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/formats.py |
filetype |
55 |
8 |
0 |
85.45% |
| /builds/debichem-team/python-ase/ase/io/formats.py |
index2range |
4 |
1 |
0 |
75.00% |
| /builds/debichem-team/python-ase/ase/io/formats.py |
(no function) |
184 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/gamess_us.py |
_format_value |
3 |
1 |
0 |
66.67% |
| /builds/debichem-team/python-ase/ase/io/gamess_us.py |
_write_block |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/gamess_us.py |
_write_geom |
12 |
6 |
0 |
50.00% |
| /builds/debichem-team/python-ase/ase/io/gamess_us.py |
_write_ecp |
9 |
9 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/gamess_us.py |
write_gamess_us_in |
31 |
7 |
0 |
77.42% |
| /builds/debichem-team/python-ase/ase/io/gamess_us.py |
read_gamess_us_out |
40 |
40 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/gamess_us.py |
read_gamess_us_punch |
32 |
32 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/gamess_us.py |
clean_userscr |
5 |
5 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/gamess_us.py |
get_userscr |
15 |
15 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/gamess_us.py |
(no function) |
24 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/gaussian.py |
_get_molecule_spec |
26 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/gaussian.py |
_format_output_type |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/gaussian.py |
_check_problem_methods |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/gaussian.py |
_pop_link0_params |
17 |
4 |
0 |
76.47% |
| /builds/debichem-team/python-ase/ase/io/gaussian.py |
_format_method_basis |
10 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/gaussian.py |
_format_route_params |
8 |
1 |
0 |
87.50% |
| /builds/debichem-team/python-ase/ase/io/gaussian.py |
_format_addsec |
8 |
2 |
0 |
75.00% |
| /builds/debichem-team/python-ase/ase/io/gaussian.py |
_format_basis_set |
11 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/gaussian.py |
write_gaussian_in |
38 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/gaussian.py |
_get_link0_param |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/gaussian.py |
_get_all_link0_params |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/gaussian.py |
_convert_to_symbol |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/gaussian.py |
_validate_symbol_string |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/gaussian.py |
_get_key_value_pairs |
30 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/gaussian.py |
_get_route_params |
11 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/gaussian.py |
_get_all_route_params |
10 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/gaussian.py |
_get_charge_mult |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/gaussian.py |
_get_nuclear_props |
19 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/gaussian.py |
_get_atoms_info |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/gaussian.py |
_get_cartesian_atom_coords |
8 |
2 |
0 |
75.00% |
| /builds/debichem-team/python-ase/ase/io/gaussian.py |
_get_zmatrix_line |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/gaussian.py |
_read_zmatrix |
9 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/gaussian.py |
_get_nuclear_props_for_all_atoms |
12 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/gaussian.py |
_get_atoms_from_molspec |
51 |
3 |
0 |
94.12% |
| /builds/debichem-team/python-ase/ase/io/gaussian.py |
_get_readiso_param |
9 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/gaussian.py |
_get_readiso_info |
12 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/gaussian.py |
_delete_readiso_param |
16 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/gaussian.py |
_update_readiso_params |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/gaussian.py |
_validate_params |
10 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/gaussian.py |
_get_extra_section_params |
36 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/gaussian.py |
_get_gaussian_in_sections |
26 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/gaussian.py |
GaussianConfiguration.__init__ |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/gaussian.py |
GaussianConfiguration.get_atoms |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/gaussian.py |
GaussianConfiguration.get_parameters |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/gaussian.py |
GaussianConfiguration.get_calculator |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/gaussian.py |
GaussianConfiguration.parse_gaussian_input |
10 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/gaussian.py |
read_gaussian_in |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/gaussian.py |
_compare_merge_configs |
15 |
8 |
0 |
46.67% |
| /builds/debichem-team/python-ase/ase/io/gaussian.py |
_read_charges |
10 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/gaussian.py |
read_gaussian_out |
90 |
9 |
0 |
90.00% |
| /builds/debichem-team/python-ase/ase/io/gaussian.py |
(no function) |
70 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/gen.py |
read_gen |
33 |
3 |
0 |
90.91% |
| /builds/debichem-team/python-ase/ase/io/gen.py |
write_gen |
38 |
3 |
0 |
92.11% |
| /builds/debichem-team/python-ase/ase/io/gen.py |
(no function) |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/gpaw_out.py |
index_startswith |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/gpaw_out.py |
index_pattern |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/gpaw_out.py |
read_forces |
8 |
2 |
0 |
75.00% |
| /builds/debichem-team/python-ase/ase/io/gpaw_out.py |
read_stresses |
8 |
2 |
0 |
75.00% |
| /builds/debichem-team/python-ase/ase/io/gpaw_out.py |
read_gpaw_out |
174 |
31 |
0 |
82.18% |
| /builds/debichem-team/python-ase/ase/io/gpaw_out.py |
(no function) |
10 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/gpumd.py |
find_nearest_index |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/gpumd.py |
find_nearest_value |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/gpumd.py |
write_gpumd |
53 |
10 |
0 |
81.13% |
| /builds/debichem-team/python-ase/ase/io/gpumd.py |
load_xyz_input_gpumd |
49 |
1 |
0 |
97.96% |
| /builds/debichem-team/python-ase/ase/io/gpumd.py |
read_gpumd |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/gpumd.py |
(no function) |
9 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/gpw.py |
read_gpw |
25 |
25 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/gpw.py |
read_old_gpw |
27 |
27 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/gpw.py |
(no function) |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/gromacs.py |
read_gromacs |
72 |
9 |
0 |
87.50% |
| /builds/debichem-team/python-ase/ase/io/gromacs.py |
write_gromacs |
31 |
2 |
0 |
93.55% |
| /builds/debichem-team/python-ase/ase/io/gromacs.py |
(no function) |
9 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/gromos.py |
read_gromos |
39 |
3 |
0 |
92.31% |
| /builds/debichem-team/python-ase/ase/io/gromos.py |
write_gromos |
39 |
1 |
0 |
97.44% |
| /builds/debichem-team/python-ase/ase/io/gromos.py |
(no function) |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/jsonio.py |
default |
22 |
2 |
0 |
90.91% |
| /builds/debichem-team/python-ase/ase/io/jsonio.py |
MyEncoder.default |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/jsonio.py |
object_hook |
14 |
2 |
0 |
85.71% |
| /builds/debichem-team/python-ase/ase/io/jsonio.py |
create_ndarray |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/jsonio.py |
create_ase_object |
19 |
4 |
0 |
78.95% |
| /builds/debichem-team/python-ase/ase/io/jsonio.py |
intkey |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/jsonio.py |
fix_int_keys_in_dicts |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/jsonio.py |
numpyfy |
13 |
4 |
0 |
69.23% |
| /builds/debichem-team/python-ase/ase/io/jsonio.py |
decode |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/jsonio.py |
read_json |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/jsonio.py |
write_json |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/jsonio.py |
(no function) |
20 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/jsv.py |
read_jsv |
72 |
15 |
0 |
79.17% |
| /builds/debichem-team/python-ase/ase/io/jsv.py |
write_jsv |
28 |
3 |
0 |
89.29% |
| /builds/debichem-team/python-ase/ase/io/jsv.py |
(no function) |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/lammpsdata.py |
read_lammps_data |
166 |
5 |
0 |
96.99% |
| /builds/debichem-team/python-ase/ase/io/lammpsdata.py |
_read_atoms_section |
39 |
6 |
0 |
84.62% |
| /builds/debichem-team/python-ase/ase/io/lammpsdata.py |
_guess_atom_style |
5 |
1 |
0 |
80.00% |
| /builds/debichem-team/python-ase/ase/io/lammpsdata.py |
_masses2numbers |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/lammpsdata.py |
write_lammps_data |
102 |
7 |
0 |
93.14% |
| /builds/debichem-team/python-ase/ase/io/lammpsdata.py |
_write_masses |
10 |
1 |
0 |
90.00% |
| /builds/debichem-team/python-ase/ase/io/lammpsdata.py |
(no function) |
15 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/lammpsrun.py |
read_lammps_dump |
20 |
9 |
0 |
55.00% |
| /builds/debichem-team/python-ase/ase/io/lammpsrun.py |
lammps_data_to_ase_atoms |
58 |
3 |
0 |
94.83% |
| /builds/debichem-team/python-ase/ase/io/lammpsrun.py |
lammps_data_to_ase_atoms.get_quantity |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/lammpsrun.py |
construct_cell |
11 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/lammpsrun.py |
get_max_index |
4 |
2 |
0 |
50.00% |
| /builds/debichem-team/python-ase/ase/io/lammpsrun.py |
read_lammps_dump_text |
40 |
8 |
0 |
80.00% |
| /builds/debichem-team/python-ase/ase/io/lammpsrun.py |
read_lammps_dump_binary |
49 |
4 |
0 |
91.84% |
| /builds/debichem-team/python-ase/ase/io/lammpsrun.py |
read_lammps_dump_binary.read_variables |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/lammpsrun.py |
(no function) |
16 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/magres.py |
read_magres |
99 |
14 |
0 |
85.86% |
| /builds/debichem-team/python-ase/ase/io/magres.py |
read_magres.tensor33 |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/magres.py |
read_magres.tensor31 |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/magres.py |
read_magres.get_version |
7 |
1 |
0 |
85.71% |
| /builds/debichem-team/python-ase/ase/io/magres.py |
read_magres.parse_blocks |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/magres.py |
read_magres.parse_block |
11 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/magres.py |
read_magres.parse_block.clean_line |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/magres.py |
read_magres.check_units |
5 |
1 |
0 |
80.00% |
| /builds/debichem-team/python-ase/ase/io/magres.py |
read_magres.parse_magres_block |
12 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/magres.py |
read_magres.parse_magres_block.ntensor33 |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/magres.py |
read_magres.parse_magres_block.sitensor33 |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/magres.py |
read_magres.parse_magres_block.sisitensor33 |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/magres.py |
read_magres.parse_atoms_block |
12 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/magres.py |
read_magres.parse_atoms_block.lattice |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/magres.py |
read_magres.parse_atoms_block.atom |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/magres.py |
read_magres.parse_atoms_block.symmetry |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/magres.py |
read_magres.parse_generic_block |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/magres.py |
read_magres.create_magres_array |
22 |
12 |
0 |
45.45% |
| /builds/debichem-team/python-ase/ase/io/magres.py |
tensor_string |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/magres.py |
write_magres |
64 |
11 |
0 |
82.81% |
| /builds/debichem-team/python-ase/ase/io/magres.py |
write_magres.write_units |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/magres.py |
write_magres.write_magres_block |
16 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/magres.py |
write_magres.write_magres_block.nout |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/magres.py |
write_magres.write_magres_block.siout |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/magres.py |
write_magres.write_magres_block.sisiout |
3 |
2 |
0 |
33.33% |
| /builds/debichem-team/python-ase/ase/io/magres.py |
write_magres.write_atoms_block |
12 |
2 |
0 |
83.33% |
| /builds/debichem-team/python-ase/ase/io/magres.py |
write_magres.write_generic_block |
5 |
5 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/magres.py |
(no function) |
12 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/mol.py |
(no function) |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/mustem.py |
read_mustem |
27 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/mustem.py |
XtlmuSTEMWriter.__init__ |
11 |
2 |
0 |
81.82% |
| /builds/debichem-team/python-ase/ase/io/mustem.py |
XtlmuSTEMWriter._get_occupancies |
9 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/mustem.py |
XtlmuSTEMWriter._get_RMS |
14 |
1 |
0 |
92.86% |
| /builds/debichem-team/python-ase/ase/io/mustem.py |
XtlmuSTEMWriter._parse_array_from_atoms |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/mustem.py |
XtlmuSTEMWriter._get_position_array_single_atom_type |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/mustem.py |
XtlmuSTEMWriter._get_file_header |
7 |
1 |
0 |
85.71% |
| /builds/debichem-team/python-ase/ase/io/mustem.py |
XtlmuSTEMWriter._get_element_header |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/mustem.py |
XtlmuSTEMWriter._get_file_end |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/mustem.py |
XtlmuSTEMWriter.write_to_file |
9 |
1 |
0 |
88.89% |
| /builds/debichem-team/python-ase/ase/io/mustem.py |
write_mustem |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/mustem.py |
(no function) |
19 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/netcdftrajectory.py |
NetCDFTrajectory.__init__ |
30 |
2 |
0 |
93.33% |
| /builds/debichem-team/python-ase/ase/io/netcdftrajectory.py |
NetCDFTrajectory.__del__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/netcdftrajectory.py |
NetCDFTrajectory._open |
10 |
1 |
0 |
90.00% |
| /builds/debichem-team/python-ase/ase/io/netcdftrajectory.py |
NetCDFTrajectory._set_atoms |
3 |
1 |
0 |
66.67% |
| /builds/debichem-team/python-ase/ase/io/netcdftrajectory.py |
NetCDFTrajectory._read_header |
16 |
5 |
0 |
68.75% |
| /builds/debichem-team/python-ase/ase/io/netcdftrajectory.py |
NetCDFTrajectory.write |
52 |
18 |
0 |
65.38% |
| /builds/debichem-team/python-ase/ase/io/netcdftrajectory.py |
NetCDFTrajectory.write_arrays |
11 |
2 |
0 |
81.82% |
| /builds/debichem-team/python-ase/ase/io/netcdftrajectory.py |
NetCDFTrajectory._define_file_structure |
45 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/netcdftrajectory.py |
NetCDFTrajectory._add_time |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/netcdftrajectory.py |
NetCDFTrajectory._add_velocities |
4 |
4 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/netcdftrajectory.py |
NetCDFTrajectory._add_array |
16 |
3 |
0 |
81.25% |
| /builds/debichem-team/python-ase/ase/io/netcdftrajectory.py |
NetCDFTrajectory._get_variable |
11 |
3 |
0 |
72.73% |
| /builds/debichem-team/python-ase/ase/io/netcdftrajectory.py |
NetCDFTrajectory._has_variable |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/netcdftrajectory.py |
NetCDFTrajectory._get_data |
19 |
3 |
0 |
84.21% |
| /builds/debichem-team/python-ase/ase/io/netcdftrajectory.py |
NetCDFTrajectory.__enter__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/netcdftrajectory.py |
NetCDFTrajectory.__exit__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/netcdftrajectory.py |
NetCDFTrajectory.close |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/netcdftrajectory.py |
NetCDFTrajectory._close |
4 |
3 |
0 |
25.00% |
| /builds/debichem-team/python-ase/ase/io/netcdftrajectory.py |
NetCDFTrajectory.sync |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/netcdftrajectory.py |
NetCDFTrajectory.__getitem__ |
46 |
4 |
0 |
91.30% |
| /builds/debichem-team/python-ase/ase/io/netcdftrajectory.py |
NetCDFTrajectory._len |
3 |
1 |
0 |
66.67% |
| /builds/debichem-team/python-ase/ase/io/netcdftrajectory.py |
NetCDFTrajectory.__len__ |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/netcdftrajectory.py |
NetCDFTrajectory.pre_write_attach |
3 |
3 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/netcdftrajectory.py |
NetCDFTrajectory.post_write_attach |
3 |
3 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/netcdftrajectory.py |
NetCDFTrajectory._call_observers |
3 |
2 |
0 |
33.33% |
| /builds/debichem-team/python-ase/ase/io/netcdftrajectory.py |
read_netcdftrajectory |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/netcdftrajectory.py |
write_netcdftrajectory |
5 |
1 |
0 |
80.00% |
| /builds/debichem-team/python-ase/ase/io/netcdftrajectory.py |
(no function) |
54 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/nomad_json.py |
read_nomad_json |
6 |
1 |
0 |
83.33% |
| /builds/debichem-team/python-ase/ase/io/nomad_json.py |
(no function) |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/nwchem/__init__.py |
(no function) |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/nwchem/nwreader.py |
read_nwchem_out |
39 |
32 |
0 |
17.95% |
| /builds/debichem-team/python-ase/ase/io/nwchem/nwreader.py |
_parse_geomblock |
20 |
1 |
0 |
95.00% |
| /builds/debichem-team/python-ase/ase/io/nwchem/nwreader.py |
parse_gto_chunk |
34 |
14 |
0 |
58.82% |
| /builds/debichem-team/python-ase/ase/io/nwchem/nwreader.py |
_get_multipole |
9 |
1 |
0 |
88.89% |
| /builds/debichem-team/python-ase/ase/io/nwchem/nwreader.py |
_get_gto_kpts |
9 |
2 |
0 |
77.78% |
| /builds/debichem-team/python-ase/ase/io/nwchem/nwreader.py |
_get_gto_evals |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/nwchem/nwreader.py |
parse_pw_chunk |
33 |
2 |
0 |
93.94% |
| /builds/debichem-team/python-ase/ase/io/nwchem/nwreader.py |
_get_stress |
10 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/nwchem/nwreader.py |
_get_pw_kpts |
18 |
5 |
0 |
72.22% |
| /builds/debichem-team/python-ase/ase/io/nwchem/nwreader.py |
NWChemKpts.__init__ |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/nwchem/nwreader.py |
NWChemKpts.add_ibz_kpt |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/nwchem/nwreader.py |
NWChemKpts.add_eval |
5 |
5 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/nwchem/nwreader.py |
NWChemKpts.set_weight |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/nwchem/nwreader.py |
NWChemKpts.to_ibz_kpts |
4 |
2 |
0 |
50.00% |
| /builds/debichem-team/python-ase/ase/io/nwchem/nwreader.py |
NWChemKpts.to_singlepointkpts |
7 |
4 |
0 |
42.86% |
| /builds/debichem-team/python-ase/ase/io/nwchem/nwreader.py |
_extract_pw_kpts |
24 |
23 |
0 |
4.17% |
| /builds/debichem-team/python-ase/ase/io/nwchem/nwreader.py |
(no function) |
46 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/nwchem/nwreader_in.py |
read_nwchem_in |
22 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/nwchem/nwreader_in.py |
_get_cell |
39 |
14 |
0 |
64.10% |
| /builds/debichem-team/python-ase/ase/io/nwchem/nwreader_in.py |
(no function) |
11 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/nwchem/nwwriter.py |
_render_geom |
40 |
7 |
0 |
82.50% |
| /builds/debichem-team/python-ase/ase/io/nwchem/nwwriter.py |
_render_basis |
14 |
3 |
0 |
78.57% |
| /builds/debichem-team/python-ase/ase/io/nwchem/nwwriter.py |
_render_brillouin_zone |
8 |
8 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/nwchem/nwwriter.py |
_render_bandpath |
6 |
4 |
0 |
33.33% |
| /builds/debichem-team/python-ase/ase/io/nwchem/nwwriter.py |
_format_line |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/nwchem/nwwriter.py |
_format_block |
17 |
4 |
0 |
76.47% |
| /builds/debichem-team/python-ase/ase/io/nwchem/nwwriter.py |
_render_other |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/nwchem/nwwriter.py |
_render_set |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/nwchem/nwwriter.py |
_get_theory |
15 |
4 |
0 |
73.33% |
| /builds/debichem-team/python-ase/ase/io/nwchem/nwwriter.py |
_update_mult |
21 |
3 |
0 |
85.71% |
| /builds/debichem-team/python-ase/ase/io/nwchem/nwwriter.py |
_update_kpts |
16 |
13 |
0 |
18.75% |
| /builds/debichem-team/python-ase/ase/io/nwchem/nwwriter.py |
_render_pretask |
51 |
9 |
0 |
82.35% |
| /builds/debichem-team/python-ase/ase/io/nwchem/nwwriter.py |
write_nwchem_in |
56 |
5 |
0 |
91.07% |
| /builds/debichem-team/python-ase/ase/io/nwchem/nwwriter.py |
(no function) |
28 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/nwchem/parser.py |
_define_pattern |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/nwchem/parser.py |
(no function) |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/octopus/__init__.py |
(no function) |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/octopus/input.py |
process_special_kwargs |
15 |
9 |
0 |
40.00% |
| /builds/debichem-team/python-ase/ase/io/octopus/input.py |
octbool2bool |
8 |
8 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/octopus/input.py |
list2block |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/octopus/input.py |
normalize_keywords |
5 |
5 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/octopus/input.py |
input_line_iter |
6 |
6 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/octopus/input.py |
block2list |
12 |
12 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/octopus/input.py |
OctNamespace.__init__ |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/octopus/input.py |
OctNamespace.evaluate |
43 |
43 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/octopus/input.py |
OctNamespace.add |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/octopus/input.py |
parse_input_file |
17 |
17 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/octopus/input.py |
kwargs2cell |
17 |
17 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/octopus/input.py |
boxshape_is_ase_compatible |
4 |
4 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/octopus/input.py |
kwargs2atoms |
71 |
71 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/octopus/input.py |
kwargs2atoms.get_positions_from_block |
36 |
36 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/octopus/input.py |
kwargs2atoms.read_atoms_from_file |
13 |
13 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/octopus/input.py |
generate_input |
36 |
12 |
0 |
66.67% |
| /builds/debichem-team/python-ase/ase/io/octopus/input.py |
generate_input.append |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/octopus/input.py |
generate_input.extend |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/octopus/input.py |
generate_input.setvar |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/octopus/input.py |
atoms2kwargs |
32 |
5 |
0 |
84.38% |
| /builds/debichem-team/python-ase/ase/io/octopus/input.py |
read_octopus_in |
10 |
10 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/octopus/input.py |
(no function) |
30 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/octopus/output.py |
read_eigenvalues_file |
44 |
4 |
0 |
90.91% |
| /builds/debichem-team/python-ase/ase/io/octopus/output.py |
read_static_info_stress |
9 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/octopus/output.py |
read_static_info_kpoints |
20 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/octopus/output.py |
read_static_info_eigenvalues |
33 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/octopus/output.py |
read_static_info_energy |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/octopus/output.py |
read_static_info_energy.get |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/octopus/output.py |
read_static_info |
49 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/octopus/output.py |
read_static_info.get_energy_unit |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/octopus/output.py |
(no function) |
11 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/onetep.py |
get_onetep_keywords |
8 |
4 |
0 |
50.00% |
| /builds/debichem-team/python-ase/ase/io/onetep.py |
read_onetep_in |
99 |
25 |
0 |
74.75% |
| /builds/debichem-team/python-ase/ase/io/onetep.py |
read_onetep_in.clean_lines |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/onetep.py |
write_onetep_in |
112 |
26 |
0 |
76.79% |
| /builds/debichem-team/python-ase/ase/io/onetep.py |
read_onetep_out |
161 |
14 |
0 |
91.30% |
| /builds/debichem-team/python-ase/ase/io/onetep.py |
read_onetep_out.is_in_bfgs |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/onetep.py |
read_onetep_out.where_in_bfgs |
13 |
1 |
0 |
92.31% |
| /builds/debichem-team/python-ase/ase/io/onetep.py |
read_onetep_out.parse_cell |
4 |
4 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/onetep.py |
read_onetep_out.parse_charge |
8 |
1 |
0 |
87.50% |
| /builds/debichem-team/python-ase/ase/io/onetep.py |
read_onetep_out.parse_energy |
7 |
1 |
0 |
85.71% |
| /builds/debichem-team/python-ase/ase/io/onetep.py |
read_onetep_out.parse_fermi_level |
11 |
4 |
0 |
63.64% |
| /builds/debichem-team/python-ase/ase/io/onetep.py |
read_onetep_out.parse_first_cell |
10 |
1 |
0 |
90.00% |
| /builds/debichem-team/python-ase/ase/io/onetep.py |
read_onetep_out.parse_first_positions |
24 |
3 |
0 |
87.50% |
| /builds/debichem-team/python-ase/ase/io/onetep.py |
read_onetep_out.parse_force |
7 |
1 |
0 |
85.71% |
| /builds/debichem-team/python-ase/ase/io/onetep.py |
read_onetep_out.parse_positions |
20 |
6 |
0 |
70.00% |
| /builds/debichem-team/python-ase/ase/io/onetep.py |
read_onetep_out.parse_species |
11 |
1 |
0 |
90.91% |
| /builds/debichem-team/python-ase/ase/io/onetep.py |
read_onetep_out.parse_spin |
11 |
3 |
0 |
72.73% |
| /builds/debichem-team/python-ase/ase/io/onetep.py |
read_onetep_out.find_correct_species |
15 |
3 |
0 |
80.00% |
| /builds/debichem-team/python-ase/ase/io/onetep.py |
(no function) |
35 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/opls.py |
twochar |
3 |
1 |
0 |
66.67% |
| /builds/debichem-team/python-ase/ase/io/opls.py |
BondData.__init__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/opls.py |
BondData.name_value |
7 |
1 |
0 |
85.71% |
| /builds/debichem-team/python-ase/ase/io/opls.py |
BondData.value |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/opls.py |
CutoffList.max |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/opls.py |
AnglesData.__init__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/opls.py |
AnglesData.name_value |
4 |
4 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/opls.py |
DihedralsData.__init__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/opls.py |
DihedralsData.name_value |
4 |
4 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/opls.py |
OPLSff.__init__ |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/opls.py |
OPLSff.read |
10 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/opls.py |
OPLSff.read.read_block |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/opls.py |
OPLSff.read.read_block.add_line |
12 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/opls.py |
OPLSff.write_lammps |
10 |
1 |
0 |
90.00% |
| /builds/debichem-team/python-ase/ase/io/opls.py |
OPLSff.write_lammps_in |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/opls.py |
OPLSff._write_lammps_in |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/opls.py |
OPLSff.write_lammps_atoms |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/opls.py |
OPLSff._write_lammps_atoms |
68 |
21 |
0 |
69.12% |
| /builds/debichem-team/python-ase/ase/io/opls.py |
OPLSff.update_neighbor_list |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/opls.py |
OPLSff.get_bonds |
31 |
7 |
0 |
77.42% |
| /builds/debichem-team/python-ase/ase/io/opls.py |
OPLSff.get_angles |
39 |
18 |
0 |
53.85% |
| /builds/debichem-team/python-ase/ase/io/opls.py |
OPLSff.get_dihedrals |
44 |
34 |
0 |
22.73% |
| /builds/debichem-team/python-ase/ase/io/opls.py |
OPLSff.get_dihedrals.append |
5 |
5 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/opls.py |
OPLSff.write_lammps_definitions |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/opls.py |
OPLSff._write_lammps_definitions |
45 |
14 |
0 |
68.89% |
| /builds/debichem-team/python-ase/ase/io/opls.py |
OPLSStructure.__init__ |
8 |
5 |
0 |
37.50% |
| /builds/debichem-team/python-ase/ase/io/opls.py |
OPLSStructure.append |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/opls.py |
OPLSStructure.read_extended_xyz |
15 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/opls.py |
OPLSStructure.split_symbol |
5 |
1 |
0 |
80.00% |
| /builds/debichem-team/python-ase/ase/io/opls.py |
OPLSStructure.get_types |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/opls.py |
OPLSStructure.colored |
8 |
8 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/opls.py |
OPLSStructure.update_from_lammps_dump |
11 |
11 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/opls.py |
OPLSStructure.read_connectivities |
69 |
69 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/opls.py |
OPLSStructure.read_connectivities.next_entry |
3 |
3 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/opls.py |
OPLSStructure.read_connectivities.next_key |
6 |
6 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/opls.py |
OPLSStructure.read_connectivities.newtype |
8 |
8 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/opls.py |
OPLSStructure.read_connectivities.read_list |
9 |
9 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/opls.py |
(no function) |
45 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/orca.py |
read_geom_orcainp |
17 |
1 |
0 |
94.12% |
| /builds/debichem-team/python-ase/ase/io/orca.py |
write_orca |
12 |
1 |
0 |
91.67% |
| /builds/debichem-team/python-ase/ase/io/orca.py |
read_charge |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/orca.py |
read_energy |
9 |
2 |
0 |
77.78% |
| /builds/debichem-team/python-ase/ase/io/orca.py |
read_center_of_mass |
8 |
3 |
0 |
62.50% |
| /builds/debichem-team/python-ase/ase/io/orca.py |
read_dipole |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/orca.py |
read_orca_output |
12 |
2 |
0 |
83.33% |
| /builds/debichem-team/python-ase/ase/io/orca.py |
read_orca_engrad |
19 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/orca.py |
read_orca_outputs |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/orca.py |
(no function) |
21 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/pickletrajectory.py |
PickleTrajectory.__init__ |
18 |
1 |
0 |
94.44% |
| /builds/debichem-team/python-ase/ase/io/pickletrajectory.py |
PickleTrajectory.open |
33 |
10 |
0 |
69.70% |
| /builds/debichem-team/python-ase/ase/io/pickletrajectory.py |
PickleTrajectory.set_atoms |
3 |
1 |
0 |
66.67% |
| /builds/debichem-team/python-ase/ase/io/pickletrajectory.py |
PickleTrajectory.read_header |
17 |
4 |
0 |
76.47% |
| /builds/debichem-team/python-ase/ase/io/pickletrajectory.py |
PickleTrajectory.write |
4 |
1 |
0 |
75.00% |
| /builds/debichem-team/python-ase/ase/io/pickletrajectory.py |
PickleTrajectory._write_atoms |
54 |
10 |
0 |
81.48% |
| /builds/debichem-team/python-ase/ase/io/pickletrajectory.py |
PickleTrajectory.write_header |
13 |
2 |
0 |
84.62% |
| /builds/debichem-team/python-ase/ase/io/pickletrajectory.py |
PickleTrajectory.close |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/pickletrajectory.py |
PickleTrajectory.__getitem__ |
32 |
12 |
0 |
62.50% |
| /builds/debichem-team/python-ase/ase/io/pickletrajectory.py |
PickleTrajectory.__len__ |
11 |
1 |
0 |
90.91% |
| /builds/debichem-team/python-ase/ase/io/pickletrajectory.py |
PickleTrajectory.pre_write_attach |
3 |
3 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/pickletrajectory.py |
PickleTrajectory.post_write_attach |
3 |
3 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/pickletrajectory.py |
PickleTrajectory._call_observers |
3 |
2 |
0 |
33.33% |
| /builds/debichem-team/python-ase/ase/io/pickletrajectory.py |
PickleTrajectory.__enter__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/pickletrajectory.py |
PickleTrajectory.__exit__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/pickletrajectory.py |
stringnify_info |
11 |
4 |
0 |
63.64% |
| /builds/debichem-team/python-ase/ase/io/pickletrajectory.py |
unstringnify_info |
8 |
2 |
0 |
75.00% |
| /builds/debichem-team/python-ase/ase/io/pickletrajectory.py |
dict2constraints |
14 |
6 |
0 |
57.14% |
| /builds/debichem-team/python-ase/ase/io/pickletrajectory.py |
(no function) |
38 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/png.py |
PNG.write_header |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/png.py |
PNG._renderer |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/png.py |
PNG.write_trailer |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/png.py |
write_png |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/png.py |
(no function) |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/pov.py |
pa |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/pov.py |
pc |
7 |
1 |
0 |
85.71% |
| /builds/debichem-team/python-ase/ase/io/pov.py |
get_bondpairs |
10 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/pov.py |
set_high_bondorder_pairs |
13 |
3 |
0 |
76.92% |
| /builds/debichem-team/python-ase/ase/io/pov.py |
POVRAY.__init__ |
50 |
8 |
0 |
84.00% |
| /builds/debichem-team/python-ase/ase/io/pov.py |
POVRAY.from_PlottingVariables |
11 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/pov.py |
POVRAY.from_atoms |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/pov.py |
POVRAY.write_ini |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/pov.py |
POVRAY.write_pov |
105 |
26 |
0 |
75.24% |
| /builds/debichem-team/python-ase/ase/io/pov.py |
POVRAY.write |
9 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/pov.py |
require_pov |
4 |
1 |
0 |
75.00% |
| /builds/debichem-team/python-ase/ase/io/pov.py |
POVRAYInputs.__init__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/pov.py |
POVRAYInputs.render |
9 |
3 |
0 |
66.67% |
| /builds/debichem-team/python-ase/ase/io/pov.py |
POVRAYIsosurface.__init__ |
22 |
7 |
0 |
68.18% |
| /builds/debichem-team/python-ase/ase/io/pov.py |
POVRAYIsosurface.cut_off |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/pov.py |
POVRAYIsosurface.cut_off |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/pov.py |
POVRAYIsosurface.set_cut_off |
15 |
15 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/pov.py |
POVRAYIsosurface.from_POVRAY |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/pov.py |
POVRAYIsosurface.wrapped_triples_section |
12 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/pov.py |
POVRAYIsosurface.compute_mesh |
5 |
2 |
0 |
60.00% |
| /builds/debichem-team/python-ase/ase/io/pov.py |
POVRAYIsosurface.format_mesh |
9 |
1 |
0 |
88.89% |
| /builds/debichem-team/python-ase/ase/io/pov.py |
pop_deprecated |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/pov.py |
write_pov |
18 |
2 |
0 |
88.89% |
| /builds/debichem-team/python-ase/ase/io/pov.py |
(no function) |
43 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/prismatic.py |
read_prismatic |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/prismatic.py |
XYZPrismaticWriter.__init__ |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/prismatic.py |
XYZPrismaticWriter._get_occupancies |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/prismatic.py |
XYZPrismaticWriter._get_debye_waller_factors |
14 |
1 |
0 |
92.86% |
| /builds/debichem-team/python-ase/ase/io/prismatic.py |
XYZPrismaticWriter._get_file_header |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/prismatic.py |
XYZPrismaticWriter.write_to_file |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/prismatic.py |
write_prismatic |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/prismatic.py |
(no function) |
13 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/proteindatabank.py |
read_atom_line |
27 |
4 |
0 |
85.19% |
| /builds/debichem-team/python-ase/ase/io/proteindatabank.py |
read_proteindatabank |
53 |
2 |
0 |
96.23% |
| /builds/debichem-team/python-ase/ase/io/proteindatabank.py |
read_proteindatabank.build_atoms |
11 |
1 |
0 |
90.91% |
| /builds/debichem-team/python-ase/ase/io/proteindatabank.py |
write_proteindatabank |
43 |
6 |
0 |
86.05% |
| /builds/debichem-team/python-ase/ase/io/proteindatabank.py |
(no function) |
11 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/py.py |
write_py |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/py.py |
array_to_string |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/py.py |
(no function) |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/qbox.py |
read_qbox |
32 |
1 |
0 |
96.88% |
| /builds/debichem-team/python-ase/ase/io/qbox.py |
_find_blocks |
24 |
2 |
0 |
91.67% |
| /builds/debichem-team/python-ase/ase/io/qbox.py |
_parse_frame |
24 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/qbox.py |
(no function) |
10 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/res.py |
Res.__init__ |
14 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/res.py |
Res.atoms |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/res.py |
Res.from_file |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/res.py |
Res.parse_title |
22 |
3 |
0 |
86.36% |
| /builds/debichem-team/python-ase/ase/io/res.py |
Res.from_string |
32 |
3 |
0 |
90.62% |
| /builds/debichem-team/python-ase/ase/io/res.py |
Res.get_string |
24 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/res.py |
Res.__str__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/res.py |
Res.write_file |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/res.py |
Res.print_title |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/res.py |
read_res |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/res.py |
write_res |
16 |
2 |
0 |
87.50% |
| /builds/debichem-team/python-ase/ase/io/res.py |
(no function) |
23 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/rmc6f.py |
_read_construct_regex |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/rmc6f.py |
_read_line_of_atoms_section |
23 |
1 |
0 |
95.65% |
| /builds/debichem-team/python-ase/ase/io/rmc6f.py |
_read_process_rmc6f_lines_to_pos_and_cell |
38 |
2 |
0 |
94.74% |
| /builds/debichem-team/python-ase/ase/io/rmc6f.py |
_write_output_column_format |
23 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/rmc6f.py |
_write_output |
14 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/rmc6f.py |
read_rmc6f |
23 |
2 |
0 |
91.30% |
| /builds/debichem-team/python-ase/ase/io/rmc6f.py |
write_rmc6f |
52 |
5 |
0 |
90.38% |
| /builds/debichem-team/python-ase/ase/io/rmc6f.py |
(no function) |
17 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/sdf.py |
get_num_atoms_sdf_v2000 |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/sdf.py |
read_sdf |
10 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/sdf.py |
(no function) |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/siesta.py |
_labelize |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/siesta.py |
_is_block |
3 |
3 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/siesta.py |
_get_stripped_lines |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/siesta.py |
_read_fdf_lines |
31 |
23 |
0 |
25.81% |
| /builds/debichem-team/python-ase/ase/io/siesta.py |
read_fdf |
24 |
3 |
0 |
87.50% |
| /builds/debichem-team/python-ase/ase/io/siesta.py |
read_struct_out |
13 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/siesta.py |
read_siesta_xv |
19 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/siesta.py |
(no function) |
15 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/siesta_input.py |
SiestaInput.is_along_cartesian |
5 |
5 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/siesta_input.py |
SiestaInput.generate_kpts |
19 |
2 |
0 |
89.47% |
| /builds/debichem-team/python-ase/ase/io/siesta_input.py |
SiestaInput.get_species |
26 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/siesta_input.py |
SiestaInput.make_xyz_constraints |
20 |
20 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/siesta_input.py |
(no function) |
13 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/siesta_output.py |
OutputReader.__init__ |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/siesta_output.py |
OutputReader.read_results |
10 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/siesta_output.py |
OutputReader._prefixed |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/siesta_output.py |
OutputReader.read_bands |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/siesta_output.py |
OutputReader.read_number_of_grid_points |
7 |
1 |
0 |
85.71% |
| /builds/debichem-team/python-ase/ase/io/siesta_output.py |
OutputReader.read_energy |
10 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/siesta_output.py |
OutputReader.read_forces_stress |
19 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/siesta_output.py |
OutputReader.read_eigenvalues |
17 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/siesta_output.py |
OutputReader.read_kpoints |
15 |
2 |
0 |
86.67% |
| /builds/debichem-team/python-ase/ase/io/siesta_output.py |
OutputReader.read_dipole |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/siesta_output.py |
read_bands_file |
22 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/siesta_output.py |
resolve_band_structure |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/siesta_output.py |
(no function) |
15 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/sys.py |
read_sys |
19 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/sys.py |
write_sys |
13 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/sys.py |
(no function) |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/trajectory.py |
Trajectory |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/trajectory.py |
TrajectoryWriter.__init__ |
12 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/trajectory.py |
TrajectoryWriter.__enter__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/trajectory.py |
TrajectoryWriter.__exit__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/trajectory.py |
TrajectoryWriter.set_description |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/trajectory.py |
TrajectoryWriter._open |
10 |
2 |
0 |
80.00% |
| /builds/debichem-team/python-ase/ase/io/trajectory.py |
TrajectoryWriter.write |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/trajectory.py |
TrajectoryWriter._write_atoms |
47 |
3 |
0 |
93.62% |
| /builds/debichem-team/python-ase/ase/io/trajectory.py |
TrajectoryWriter.close |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/trajectory.py |
TrajectoryWriter.__len__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/trajectory.py |
TrajectoryReader.__init__ |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/trajectory.py |
TrajectoryReader.__enter__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/trajectory.py |
TrajectoryReader.__exit__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/trajectory.py |
TrajectoryReader._open |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/trajectory.py |
TrajectoryReader._read_header |
11 |
1 |
0 |
90.91% |
| /builds/debichem-team/python-ase/ase/io/trajectory.py |
TrajectoryReader.close |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/trajectory.py |
TrajectoryReader.__getitem__ |
21 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/trajectory.py |
TrajectoryReader.__len__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/trajectory.py |
TrajectoryReader.__iter__ |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/trajectory.py |
SlicedTrajectory.__init__ |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/trajectory.py |
SlicedTrajectory.__getitem__ |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/trajectory.py |
SlicedTrajectory.__len__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/trajectory.py |
get_header_data |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/trajectory.py |
headers_equal |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/trajectory.py |
read_atoms |
18 |
5 |
0 |
72.22% |
| /builds/debichem-team/python-ase/ase/io/trajectory.py |
write_atoms |
17 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/trajectory.py |
read_traj |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/trajectory.py |
defer_compression |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/trajectory.py |
write_traj |
6 |
1 |
0 |
83.33% |
| /builds/debichem-team/python-ase/ase/io/trajectory.py |
OldCalculatorWrapper.__init__ |
5 |
5 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/trajectory.py |
OldCalculatorWrapper.get_property |
11 |
11 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/trajectory.py |
convert |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/trajectory.py |
main |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/trajectory.py |
(no function) |
57 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/turbomole.py |
read_turbomole |
30 |
1 |
0 |
96.67% |
| /builds/debichem-team/python-ase/ase/io/turbomole.py |
TurbomoleFormatError.__init__ |
3 |
3 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/turbomole.py |
read_turbomole_gradient |
51 |
51 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/turbomole.py |
write_turbomole |
18 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/turbomole.py |
(no function) |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/ulm.py |
open |
7 |
1 |
0 |
85.71% |
| /builds/debichem-team/python-ase/ase/io/ulm.py |
align |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/ulm.py |
writeint |
6 |
1 |
0 |
83.33% |
| /builds/debichem-team/python-ase/ase/io/ulm.py |
readints |
4 |
1 |
0 |
75.00% |
| /builds/debichem-team/python-ase/ase/io/ulm.py |
file_has_fileno |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/ulm.py |
Writer.__init__ |
34 |
2 |
0 |
94.12% |
| /builds/debichem-team/python-ase/ase/io/ulm.py |
Writer.__enter__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/ulm.py |
Writer.__exit__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/ulm.py |
Writer.add_array |
10 |
1 |
0 |
90.00% |
| /builds/debichem-team/python-ase/ase/io/ulm.py |
Writer._write_header |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/ulm.py |
Writer.fill |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/ulm.py |
Writer.sync |
26 |
1 |
0 |
96.15% |
| /builds/debichem-team/python-ase/ase/io/ulm.py |
Writer.write |
14 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/ulm.py |
Writer.child |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/ulm.py |
Writer.close |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/ulm.py |
Writer.__len__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/ulm.py |
DummyWriter.__enter__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/ulm.py |
DummyWriter.__exit__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/ulm.py |
DummyWriter.add_array |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/ulm.py |
DummyWriter.fill |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/ulm.py |
DummyWriter.sync |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/ulm.py |
DummyWriter.write |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/ulm.py |
DummyWriter.child |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/ulm.py |
DummyWriter.close |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/ulm.py |
DummyWriter.__len__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/ulm.py |
read_header |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/ulm.py |
Reader.__init__ |
18 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/ulm.py |
Reader.__enter__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/ulm.py |
Reader.__exit__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/ulm.py |
Reader._parse_data |
10 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/ulm.py |
Reader.get_tag |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/ulm.py |
Reader.keys |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/ulm.py |
Reader.asdict |
8 |
1 |
0 |
87.50% |
| /builds/debichem-team/python-ase/ase/io/ulm.py |
Reader.__getattr__ |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/ulm.py |
Reader.__contains__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/ulm.py |
Reader.__iter__ |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/ulm.py |
Reader.get |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/ulm.py |
Reader.proxy |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/ulm.py |
Reader.__len__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/ulm.py |
Reader._read_data |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/ulm.py |
Reader.__getitem__ |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/ulm.py |
Reader.tostr |
13 |
13 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/ulm.py |
Reader.__str__ |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/ulm.py |
Reader.close |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/ulm.py |
NDArrayReader.__init__ |
12 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/ulm.py |
NDArrayReader.__len__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/ulm.py |
NDArrayReader.read |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/ulm.py |
NDArrayReader.__getitem__ |
22 |
4 |
0 |
81.82% |
| /builds/debichem-team/python-ase/ase/io/ulm.py |
NDArrayReader.proxy |
9 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/ulm.py |
print_ulm_info |
8 |
8 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/ulm.py |
copy |
20 |
2 |
0 |
90.00% |
| /builds/debichem-team/python-ase/ase/io/ulm.py |
(no function) |
68 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/utils.py |
PlottingVariables.__init__ |
87 |
2 |
0 |
97.70% |
| /builds/debichem-team/python-ase/ase/io/utils.py |
cell_to_lines |
22 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/utils.py |
make_patch_list |
33 |
7 |
0 |
78.79% |
| /builds/debichem-team/python-ase/ase/io/utils.py |
ImageChunk.build |
0 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/utils.py |
ImageIterator.__init__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/utils.py |
ImageIterator.__call__ |
8 |
3 |
0 |
62.50% |
| /builds/debichem-team/python-ase/ase/io/utils.py |
ImageIterator._getslice |
13 |
1 |
0 |
92.31% |
| /builds/debichem-team/python-ase/ase/io/utils.py |
verify_cell_for_export |
4 |
1 |
0 |
75.00% |
| /builds/debichem-team/python-ase/ase/io/utils.py |
verify_dictionary |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/utils.py |
segment_list |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/utils.py |
(no function) |
21 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/v_sim.py |
read_v_sim |
51 |
5 |
0 |
90.20% |
| /builds/debichem-team/python-ase/ase/io/v_sim.py |
write_v_sim |
19 |
5 |
0 |
73.68% |
| /builds/debichem-team/python-ase/ase/io/v_sim.py |
(no function) |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/vasp.py |
parse_poscar_scaling_factor |
11 |
2 |
0 |
81.82% |
| /builds/debichem-team/python-ase/ase/io/vasp.py |
get_atomtypes |
21 |
6 |
0 |
71.43% |
| /builds/debichem-team/python-ase/ase/io/vasp.py |
atomtypes_outpot |
16 |
1 |
0 |
93.75% |
| /builds/debichem-team/python-ase/ase/io/vasp.py |
get_atomtypes_from_formula |
7 |
7 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/vasp.py |
read_vasp |
68 |
6 |
0 |
91.18% |
| /builds/debichem-team/python-ase/ase/io/vasp.py |
set_constraints |
12 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/vasp.py |
iread_vasp_out |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/vasp.py |
read_vasp_out |
4 |
1 |
0 |
75.00% |
| /builds/debichem-team/python-ase/ase/io/vasp.py |
read_vasp_xdatcar |
29 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/vasp.py |
__get_xml_parameter |
12 |
2 |
0 |
83.33% |
| /builds/debichem-team/python-ase/ase/io/vasp.py |
__get_xml_parameter.to_bool |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/vasp.py |
read_vasp_xml |
153 |
13 |
0 |
91.50% |
| /builds/debichem-team/python-ase/ase/io/vasp.py |
write_vasp_xdatcar |
18 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/vasp.py |
_write_xdatcar_config |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/vasp.py |
_symbol_count_from_symbols |
11 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/vasp.py |
write_vasp |
37 |
4 |
0 |
89.19% |
| /builds/debichem-team/python-ase/ase/io/vasp.py |
_handle_ase_constraints |
17 |
2 |
0 |
88.24% |
| /builds/debichem-team/python-ase/ase/io/vasp.py |
_symbol_count_string |
10 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/vasp.py |
(no function) |
35 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/vasp_parsers/__init__.py |
(no function) |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/vasp_parsers/incar_writer.py |
write_incar |
5 |
1 |
0 |
80.00% |
| /builds/debichem-team/python-ase/ase/io/vasp_parsers/incar_writer.py |
generate_incar_lines |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/vasp_parsers/incar_writer.py |
generate_line |
13 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/vasp_parsers/incar_writer.py |
(no function) |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/vasp_parsers/vasp_outcar_parsers.py |
UnableToLocateDelimiter.__init__ |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/vasp_parsers/vasp_outcar_parsers.py |
_check_line |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/vasp_parsers/vasp_outcar_parsers.py |
find_next_non_empty_line |
5 |
1 |
0 |
80.00% |
| /builds/debichem-team/python-ase/ase/io/vasp_parsers/vasp_outcar_parsers.py |
search_lines |
6 |
1 |
0 |
83.33% |
| /builds/debichem-team/python-ase/ase/io/vasp_parsers/vasp_outcar_parsers.py |
convert_vasp_outcar_stress |
6 |
1 |
0 |
83.33% |
| /builds/debichem-team/python-ase/ase/io/vasp_parsers/vasp_outcar_parsers.py |
read_constraints_from_file |
7 |
2 |
0 |
71.43% |
| /builds/debichem-team/python-ase/ase/io/vasp_parsers/vasp_outcar_parsers.py |
VaspPropertyParser.get_name |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/vasp_parsers/vasp_outcar_parsers.py |
VaspPropertyParser.has_property |
0 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/vasp_parsers/vasp_outcar_parsers.py |
VaspPropertyParser.get_line |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/vasp_parsers/vasp_outcar_parsers.py |
VaspPropertyParser.parse |
0 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/vasp_parsers/vasp_outcar_parsers.py |
SimpleProperty.__init__ |
3 |
1 |
0 |
66.67% |
| /builds/debichem-team/python-ase/ase/io/vasp_parsers/vasp_outcar_parsers.py |
SimpleProperty.has_property |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/vasp_parsers/vasp_outcar_parsers.py |
VaspChunkPropertyParser.__init__ |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/vasp_parsers/vasp_outcar_parsers.py |
VaspChunkPropertyParser.get_from_header |
4 |
2 |
0 |
50.00% |
| /builds/debichem-team/python-ase/ase/io/vasp_parsers/vasp_outcar_parsers.py |
Spinpol.parse |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/vasp_parsers/vasp_outcar_parsers.py |
SpeciesTypes.__init__ |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/vasp_parsers/vasp_outcar_parsers.py |
SpeciesTypes.species |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/vasp_parsers/vasp_outcar_parsers.py |
SpeciesTypes.get_species |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/vasp_parsers/vasp_outcar_parsers.py |
SpeciesTypes._make_returnval |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/vasp_parsers/vasp_outcar_parsers.py |
SpeciesTypes.parse |
12 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/vasp_parsers/vasp_outcar_parsers.py |
IonsPerSpecies.parse |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/vasp_parsers/vasp_outcar_parsers.py |
KpointHeader.has_property |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/vasp_parsers/vasp_outcar_parsers.py |
KpointHeader.parse |
21 |
1 |
0 |
95.24% |
| /builds/debichem-team/python-ase/ase/io/vasp_parsers/vasp_outcar_parsers.py |
Stress.parse |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/vasp_parsers/vasp_outcar_parsers.py |
Cell.parse |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/vasp_parsers/vasp_outcar_parsers.py |
PositionsAndForces.parse |
10 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/vasp_parsers/vasp_outcar_parsers.py |
Magmom.has_property |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/vasp_parsers/vasp_outcar_parsers.py |
Magmom.parse |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/vasp_parsers/vasp_outcar_parsers.py |
Magmoms.has_property |
10 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/vasp_parsers/vasp_outcar_parsers.py |
Magmoms.parse |
21 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/vasp_parsers/vasp_outcar_parsers.py |
EFermi.parse |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/vasp_parsers/vasp_outcar_parsers.py |
Energy.parse |
9 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/vasp_parsers/vasp_outcar_parsers.py |
Kpoints.has_property |
10 |
2 |
0 |
80.00% |
| /builds/debichem-team/python-ase/ase/io/vasp_parsers/vasp_outcar_parsers.py |
Kpoints.parse |
27 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/vasp_parsers/vasp_outcar_parsers.py |
DefaultParsersContainer.__init__ |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/vasp_parsers/vasp_outcar_parsers.py |
DefaultParsersContainer.parsers_dct |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/vasp_parsers/vasp_outcar_parsers.py |
DefaultParsersContainer.make_parsers |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/vasp_parsers/vasp_outcar_parsers.py |
DefaultParsersContainer.remove_parser |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/vasp_parsers/vasp_outcar_parsers.py |
DefaultParsersContainer.add_parser |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/vasp_parsers/vasp_outcar_parsers.py |
TypeParser.__init__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/vasp_parsers/vasp_outcar_parsers.py |
TypeParser.parsers |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/vasp_parsers/vasp_outcar_parsers.py |
TypeParser.parsers |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/vasp_parsers/vasp_outcar_parsers.py |
TypeParser._check_parsers |
0 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/vasp_parsers/vasp_outcar_parsers.py |
TypeParser.parse |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/vasp_parsers/vasp_outcar_parsers.py |
ChunkParser.__init__ |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/vasp_parsers/vasp_outcar_parsers.py |
ChunkParser.header |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/vasp_parsers/vasp_outcar_parsers.py |
ChunkParser.header |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/vasp_parsers/vasp_outcar_parsers.py |
ChunkParser.update_parser_headers |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/vasp_parsers/vasp_outcar_parsers.py |
ChunkParser._check_parsers |
2 |
1 |
0 |
50.00% |
| /builds/debichem-team/python-ase/ase/io/vasp_parsers/vasp_outcar_parsers.py |
ChunkParser.build |
0 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/vasp_parsers/vasp_outcar_parsers.py |
HeaderParser._check_parsers |
2 |
1 |
0 |
50.00% |
| /builds/debichem-team/python-ase/ase/io/vasp_parsers/vasp_outcar_parsers.py |
HeaderParser.build |
0 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/vasp_parsers/vasp_outcar_parsers.py |
OutcarChunkParser.__init__ |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/vasp_parsers/vasp_outcar_parsers.py |
OutcarChunkParser.build |
18 |
2 |
0 |
88.89% |
| /builds/debichem-team/python-ase/ase/io/vasp_parsers/vasp_outcar_parsers.py |
OutcarHeaderParser.__init__ |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/vasp_parsers/vasp_outcar_parsers.py |
OutcarHeaderParser.workdir |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/vasp_parsers/vasp_outcar_parsers.py |
OutcarHeaderParser.workdir |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/vasp_parsers/vasp_outcar_parsers.py |
OutcarHeaderParser._build_symbols |
13 |
3 |
0 |
76.92% |
| /builds/debichem-team/python-ase/ase/io/vasp_parsers/vasp_outcar_parsers.py |
OutcarHeaderParser._get_constraint |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/vasp_parsers/vasp_outcar_parsers.py |
OutcarHeaderParser.build |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/vasp_parsers/vasp_outcar_parsers.py |
OUTCARChunk.__init__ |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/vasp_parsers/vasp_outcar_parsers.py |
OUTCARChunk.build |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/vasp_parsers/vasp_outcar_parsers.py |
build_header |
6 |
1 |
0 |
83.33% |
| /builds/debichem-team/python-ase/ase/io/vasp_parsers/vasp_outcar_parsers.py |
build_chunk |
9 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/vasp_parsers/vasp_outcar_parsers.py |
outcarchunks |
13 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/vasp_parsers/vasp_outcar_parsers.py |
(no function) |
136 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/vtkxml.py |
write_vti |
35 |
35 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/vtkxml.py |
write_vtu |
36 |
36 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/vtkxml.py |
(no function) |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/wannier90.py |
read_wout_all |
38 |
3 |
0 |
92.11% |
| /builds/debichem-team/python-ase/ase/io/wannier90.py |
read_wout |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/wannier90.py |
(no function) |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/wien2k.py |
read_scf |
10 |
10 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/io/wien2k.py |
read_struct |
58 |
21 |
0 |
63.79% |
| /builds/debichem-team/python-ase/ase/io/wien2k.py |
write_struct |
32 |
2 |
0 |
93.75% |
| /builds/debichem-team/python-ase/ase/io/wien2k.py |
cellconst |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/wien2k.py |
coorsys |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/wien2k.py |
c2p |
16 |
13 |
0 |
18.75% |
| /builds/debichem-team/python-ase/ase/io/wien2k.py |
(no function) |
12 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/x3d.py |
write_x3d |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/x3d.py |
write_html |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/x3d.py |
X3D.__init__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/x3d.py |
X3D.write |
11 |
1 |
0 |
90.91% |
| /builds/debichem-team/python-ase/ase/io/x3d.py |
x3d_atom |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/x3d.py |
x3d_wireframe_box |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/x3d.py |
wireframe_face |
11 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/x3d.py |
x3d_atoms |
11 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/x3d.py |
element |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/x3d.py |
translate |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/x3d.py |
group |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/x3d.py |
pretty_print |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/x3d.py |
get_maximum_extent |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/x3d.py |
(no function) |
24 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/xsd.py |
read_xsd |
44 |
26 |
0 |
40.91% |
| /builds/debichem-team/python-ase/ase/io/xsd.py |
CPK_or_BnS |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/xsd.py |
SetChild |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/xsd.py |
SetBasicChilds |
44 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/xsd.py |
_write_xsd_html |
51 |
25 |
0 |
50.98% |
| /builds/debichem-team/python-ase/ase/io/xsd.py |
write_xsd |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/xsd.py |
(no function) |
12 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/xsf.py |
write_xsf |
76 |
6 |
0 |
92.11% |
| /builds/debichem-team/python-ase/ase/io/xsf.py |
iread_xsf |
91 |
1 |
0 |
98.90% |
| /builds/debichem-team/python-ase/ase/io/xsf.py |
iread_xsf._line_generator_func |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/xsf.py |
iread_xsf.readline |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/xsf.py |
read_xsf |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/xsf.py |
(no function) |
11 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/xtd.py |
_get_atom_str |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/xtd.py |
write_xtd |
64 |
32 |
0 |
50.00% |
| /builds/debichem-team/python-ase/ase/io/xtd.py |
read_xtd |
5 |
1 |
0 |
80.00% |
| /builds/debichem-team/python-ase/ase/io/xtd.py |
read_arcfile |
29 |
4 |
0 |
86.21% |
| /builds/debichem-team/python-ase/ase/io/xtd.py |
(no function) |
11 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/xyz.py |
read_xyz |
15 |
0 |
0 |
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write_xyz |
8 |
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(no function) |
5 |
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| /builds/debichem-team/python-ase/ase/io/zmatrix.py |
_ZMatrixToAtoms.__init__ |
6 |
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0 |
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_ZMatrixToAtoms.nrows |
1 |
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| /builds/debichem-team/python-ase/ase/io/zmatrix.py |
_ZMatrixToAtoms.get_units |
6 |
2 |
0 |
66.67% |
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_ZMatrixToAtoms.set_defs |
11 |
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0 |
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7 |
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| /builds/debichem-team/python-ase/ase/io/zmatrix.py |
_ZMatrixToAtoms.get_index |
6 |
1 |
0 |
83.33% |
| /builds/debichem-team/python-ase/ase/io/zmatrix.py |
_ZMatrixToAtoms.set_index |
6 |
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0 |
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4 |
2 |
0 |
50.00% |
| /builds/debichem-team/python-ase/ase/io/zmatrix.py |
_ZMatrixToAtoms.parse_row |
25 |
0 |
0 |
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2 |
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0 |
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20 |
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0 |
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| /builds/debichem-team/python-ase/ase/io/zmatrix.py |
_ZMatrixToAtoms.to_atoms |
1 |
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0 |
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| /builds/debichem-team/python-ase/ase/io/zmatrix.py |
parse_zmatrix |
6 |
0 |
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(no function) |
28 |
0 |
0 |
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| /builds/debichem-team/python-ase/ase/lattice/__init__.py |
BravaisLattice.__init__ |
11 |
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BravaisLattice.variant |
1 |
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BravaisLattice.__getattr__ |
3 |
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BravaisLattice.vars |
1 |
1 |
0 |
0.00% |
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BravaisLattice.conventional |
2 |
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0 |
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BravaisLattice.tocell |
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BravaisLattice.cellpar |
2 |
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0 |
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BravaisLattice.special_path |
1 |
0 |
0 |
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BravaisLattice.special_point_names |
3 |
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BravaisLattice.get_special_points_array |
11 |
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BravaisLattice.get_special_points |
5 |
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BravaisLattice.plot_bz |
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BravaisLattice.bandpath |
10 |
0 |
0 |
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BravaisLattice._cell |
0 |
0 |
0 |
100.00% |
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BravaisLattice._special_points |
1 |
1 |
0 |
0.00% |
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BravaisLattice._variant_name |
1 |
1 |
0 |
0.00% |
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BravaisLattice.__format__ |
8 |
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0 |
100.00% |
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BravaisLattice.__str__ |
1 |
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0 |
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BravaisLattice.__repr__ |
1 |
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0 |
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BravaisLattice.description |
5 |
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0 |
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BravaisLattice.type_description |
9 |
9 |
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Variant.__init__ |
8 |
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Variant.__str__ |
1 |
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0 |
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| /builds/debichem-team/python-ase/ase/lattice/__init__.py |
bravaisclass |
2 |
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bravaisclass.decorate |
17 |
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Cubic.__init__ |
1 |
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CUB._cell |
1 |
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| /builds/debichem-team/python-ase/ase/lattice/__init__.py |
FCC._cell |
1 |
0 |
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| /builds/debichem-team/python-ase/ase/lattice/__init__.py |
BCC._cell |
1 |
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TET.__init__ |
1 |
0 |
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TET._cell |
1 |
0 |
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BCT.__init__ |
1 |
0 |
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BCT._cell |
1 |
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BCT._variant_name |
1 |
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BCT._special_points |
10 |
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0 |
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check_orc |
2 |
0 |
0 |
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Orthorhombic.__init__ |
2 |
0 |
0 |
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| /builds/debichem-team/python-ase/ase/lattice/__init__.py |
ORC._cell |
1 |
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ORCF._cell |
1 |
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ORCF._special_points |
15 |
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ORCF._variant_name |
4 |
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ORCI._cell |
1 |
0 |
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ORCI._special_points |
9 |
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ORCC.__init__ |
3 |
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ORCC._cell |
1 |
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ORCC._special_points |
3 |
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HEX.__init__ |
1 |
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HEX._cell |
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RHL.__init__ |
3 |
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RHL._cell |
8 |
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RHL._variant_name |
1 |
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RHL._special_points |
9 |
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0 |
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check_mcl |
2 |
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MCL.__init__ |
2 |
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MCL._cell |
2 |
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MCL._special_points |
5 |
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0 |
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MCL._variant_name |
2 |
2 |
0 |
0.00% |
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MCLC.__init__ |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/lattice/__init__.py |
MCLC._cell |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/lattice/__init__.py |
MCLC._variant_name |
23 |
2 |
0 |
91.30% |
| /builds/debichem-team/python-ase/ase/lattice/__init__.py |
MCLC._special_points |
30 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/lattice/__init__.py |
TRI.__init__ |
1 |
0 |
0 |
100.00% |
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TRI._cell |
9 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/lattice/__init__.py |
TRI._variant_name |
21 |
1 |
0 |
95.24% |
| /builds/debichem-team/python-ase/ase/lattice/__init__.py |
TRI._variant_name.raise_unconventional |
1 |
0 |
0 |
100.00% |
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TRI._special_points |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/lattice/__init__.py |
get_subset_points |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/lattice/__init__.py |
OBL.__init__ |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/lattice/__init__.py |
OBL._cell |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/lattice/__init__.py |
OBL._special_points |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/lattice/__init__.py |
HEX2D.__init__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/lattice/__init__.py |
HEX2D._cell |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/lattice/__init__.py |
check_rect |
2 |
0 |
0 |
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| /builds/debichem-team/python-ase/ase/lattice/__init__.py |
RECT.__init__ |
2 |
0 |
0 |
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| /builds/debichem-team/python-ase/ase/lattice/__init__.py |
RECT._cell |
1 |
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CRECT.__init__ |
3 |
0 |
0 |
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| /builds/debichem-team/python-ase/ase/lattice/__init__.py |
CRECT._cell |
3 |
0 |
0 |
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CRECT._special_points |
7 |
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0 |
100.00% |
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SQR.__init__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/lattice/__init__.py |
SQR._cell |
1 |
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| /builds/debichem-team/python-ase/ase/lattice/__init__.py |
LINE.__init__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/lattice/__init__.py |
LINE._cell |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/lattice/__init__.py |
celldiff |
10 |
1 |
0 |
90.00% |
| /builds/debichem-team/python-ase/ase/lattice/__init__.py |
get_lattice_from_canonical_cell |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/lattice/__init__.py |
identify_lattice |
27 |
1 |
0 |
96.30% |
| /builds/debichem-team/python-ase/ase/lattice/__init__.py |
flip_2d_handedness |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/lattice/__init__.py |
pick_best_lattice |
9 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/lattice/__init__.py |
LatticeChecker.__init__ |
7 |
0 |
0 |
100.00% |
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LatticeChecker._check |
10 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/lattice/__init__.py |
LatticeChecker.match |
5 |
1 |
0 |
80.00% |
| /builds/debichem-team/python-ase/ase/lattice/__init__.py |
LatticeChecker.query |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/lattice/__init__.py |
LatticeChecker.LINE |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/lattice/__init__.py |
LatticeChecker.SQR |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/lattice/__init__.py |
LatticeChecker.RECT |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/lattice/__init__.py |
LatticeChecker.CRECT |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/lattice/__init__.py |
LatticeChecker.HEX2D |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/lattice/__init__.py |
LatticeChecker.OBL |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/lattice/__init__.py |
LatticeChecker.CUB |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/lattice/__init__.py |
LatticeChecker.FCC |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/lattice/__init__.py |
LatticeChecker.BCC |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/lattice/__init__.py |
LatticeChecker.TET |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/lattice/__init__.py |
LatticeChecker._bct_orci_lengths |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/lattice/__init__.py |
LatticeChecker.BCT |
4 |
0 |
0 |
100.00% |
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LatticeChecker.HEX |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/lattice/__init__.py |
LatticeChecker.RHL |
1 |
0 |
0 |
100.00% |
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LatticeChecker.ORC |
1 |
0 |
0 |
100.00% |
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LatticeChecker.ORCF |
4 |
0 |
0 |
100.00% |
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LatticeChecker.ORCI |
4 |
0 |
0 |
100.00% |
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LatticeChecker._orcc_ab |
6 |
0 |
0 |
100.00% |
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LatticeChecker.ORCC |
4 |
0 |
0 |
100.00% |
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LatticeChecker.MCL |
1 |
0 |
0 |
100.00% |
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LatticeChecker.MCLC |
13 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/lattice/__init__.py |
LatticeChecker.TRI |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/lattice/__init__.py |
all_variants |
61 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/lattice/__init__.py |
all_variants.get_tri |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/lattice/__init__.py |
(no function) |
211 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/lattice/bravais.py |
Bravais.__call__ |
26 |
7 |
0 |
73.08% |
| /builds/debichem-team/python-ase/ase/lattice/bravais.py |
Bravais.align |
39 |
14 |
0 |
64.10% |
| /builds/debichem-team/python-ase/ase/lattice/bravais.py |
Bravais.make_list_of_atoms |
36 |
1 |
0 |
97.22% |
| /builds/debichem-team/python-ase/ase/lattice/bravais.py |
Bravais.process_element |
23 |
10 |
0 |
56.52% |
| /builds/debichem-team/python-ase/ase/lattice/bravais.py |
Bravais.convert_to_natural_basis |
8 |
0 |
0 |
100.00% |
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Bravais.calc_num_atoms |
4 |
0 |
0 |
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Bravais.make_unit_cell |
43 |
0 |
0 |
100.00% |
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Bravais.inside |
1 |
0 |
0 |
100.00% |
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Bravais.put_atom |
16 |
2 |
0 |
87.50% |
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Bravais.find_directions |
45 |
12 |
0 |
73.33% |
| /builds/debichem-team/python-ase/ase/lattice/bravais.py |
Bravais.print_directions_and_miller |
6 |
6 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/lattice/bravais.py |
MillerInfo.miller_to_direction |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/lattice/bravais.py |
cross |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/lattice/bravais.py |
reduceindex |
12 |
1 |
0 |
91.67% |
| /builds/debichem-team/python-ase/ase/lattice/bravais.py |
(no function) |
26 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/lattice/compounds.py |
(no function) |
31 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/lattice/cubic.py |
SimpleCubicFactory.get_lattice_constant |
3 |
1 |
0 |
66.67% |
| /builds/debichem-team/python-ase/ase/lattice/cubic.py |
SimpleCubicFactory.make_crystal_basis |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/lattice/cubic.py |
SimpleCubicFactory.check_basis_volume |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/lattice/cubic.py |
SimpleCubicFactory.find_directions |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/lattice/cubic.py |
SimpleCubicFactory.find_ortho |
8 |
6 |
0 |
25.00% |
| /builds/debichem-team/python-ase/ase/lattice/cubic.py |
(no function) |
36 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/lattice/hexagonal.py |
HexagonalFactory.make_crystal_basis |
10 |
1 |
0 |
90.00% |
| /builds/debichem-team/python-ase/ase/lattice/hexagonal.py |
HexagonalFactory.find_directions |
15 |
1 |
0 |
93.33% |
| /builds/debichem-team/python-ase/ase/lattice/hexagonal.py |
HexagonalFactory.print_directions_and_miller |
6 |
6 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/lattice/hexagonal.py |
HexagonalFactory.print_four_vector |
7 |
7 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/lattice/hexagonal.py |
(no function) |
20 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/lattice/monoclinic.py |
SimpleMonoclinicFactory.make_crystal_basis |
7 |
7 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/lattice/monoclinic.py |
(no function) |
12 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/lattice/orthorhombic.py |
SimpleOrthorhombicFactory.get_lattice_constant |
3 |
3 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/lattice/orthorhombic.py |
SimpleOrthorhombicFactory.make_crystal_basis |
20 |
20 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/lattice/orthorhombic.py |
SimpleOrthorhombicFactory.check_basis_volume |
6 |
6 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/lattice/orthorhombic.py |
BaseCenteredOrthorhombicFactory.check_basis_volume |
4 |
4 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/lattice/orthorhombic.py |
BodyCenteredOrthorhombicFactory.check_basis_volume |
4 |
4 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/lattice/orthorhombic.py |
FaceCenteredOrthorhombicFactory.check_basis_volume |
4 |
4 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/lattice/orthorhombic.py |
(no function) |
34 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/lattice/tetragonal.py |
_Tetragonalize.make_crystal_basis |
8 |
8 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/lattice/tetragonal.py |
(no function) |
10 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/lattice/triclinic.py |
TriclinicFactory.get_lattice_constant |
3 |
1 |
0 |
66.67% |
| /builds/debichem-team/python-ase/ase/lattice/triclinic.py |
TriclinicFactory.make_crystal_basis |
34 |
1 |
0 |
97.06% |
| /builds/debichem-team/python-ase/ase/lattice/triclinic.py |
(no function) |
12 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/md/__init__.py |
(no function) |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/md/analysis.py |
DiffusionCoefficient.__init__ |
12 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/md/analysis.py |
DiffusionCoefficient.no_of_types_of_atoms |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/md/analysis.py |
DiffusionCoefficient.slopes |
3 |
1 |
0 |
66.67% |
| /builds/debichem-team/python-ase/ase/md/analysis.py |
DiffusionCoefficient.slopes |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/md/analysis.py |
DiffusionCoefficient._initialise_arrays |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/md/analysis.py |
DiffusionCoefficient.calculate |
25 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/md/analysis.py |
DiffusionCoefficient._fit_data |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/md/analysis.py |
DiffusionCoefficient.get_diffusion_coefficients |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/md/analysis.py |
DiffusionCoefficient.plot |
29 |
29 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/md/analysis.py |
DiffusionCoefficient.print_data |
12 |
12 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/md/analysis.py |
(no function) |
15 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/md/andersen.py |
Andersen.__init__ |
8 |
1 |
0 |
87.50% |
| /builds/debichem-team/python-ase/ase/md/andersen.py |
Andersen.set_temperature |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/md/andersen.py |
Andersen.set_andersen_prob |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/md/andersen.py |
Andersen.set_timestep |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/md/andersen.py |
Andersen.boltzmann_random |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/md/andersen.py |
Andersen.get_maxwell_boltzmann_velocities |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/md/andersen.py |
Andersen.step |
29 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/md/andersen.py |
(no function) |
13 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/md/bussi.py |
Bussi.__init__ |
11 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/md/bussi.py |
Bussi.scale_velocities |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/md/bussi.py |
Bussi.calculate_alpha |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/md/bussi.py |
Bussi.step |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/md/bussi.py |
(no function) |
9 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/md/contour_exploration.py |
subtract_projection |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/md/contour_exploration.py |
normalize |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/md/contour_exploration.py |
ContourExploration.__init__ |
29 |
1 |
0 |
96.55% |
| /builds/debichem-team/python-ase/ase/md/contour_exploration.py |
ContourExploration.todict |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/md/contour_exploration.py |
ContourExploration.run |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/md/contour_exploration.py |
ContourExploration.log |
11 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/md/contour_exploration.py |
ContourExploration.rand_vect |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/md/contour_exploration.py |
ContourExploration.create_drift_unit_vector |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/md/contour_exploration.py |
ContourExploration.compute_step_contributions |
9 |
3 |
0 |
66.67% |
| /builds/debichem-team/python-ase/ase/md/contour_exploration.py |
ContourExploration._compute_update_without_fs |
9 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/md/contour_exploration.py |
ContourExploration._compute_update_with_fs |
26 |
1 |
0 |
96.15% |
| /builds/debichem-team/python-ase/ase/md/contour_exploration.py |
ContourExploration.update_previous_energies |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/md/contour_exploration.py |
ContourExploration.compute_potentiostat_step_size |
7 |
1 |
0 |
85.71% |
| /builds/debichem-team/python-ase/ase/md/contour_exploration.py |
ContourExploration.step |
37 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/md/contour_exploration.py |
(no function) |
19 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/md/fix.py |
FixRotation.__init__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/md/fix.py |
FixRotation.__call__ |
17 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/md/fix.py |
(no function) |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/md/langevin.py |
Langevin.__init__ |
13 |
2 |
0 |
84.62% |
| /builds/debichem-team/python-ase/ase/md/langevin.py |
Langevin.todict |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/md/langevin.py |
Langevin.set_temperature |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/md/langevin.py |
Langevin.set_friction |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/md/langevin.py |
Langevin.set_timestep |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/md/langevin.py |
Langevin.updatevars |
10 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/md/langevin.py |
Langevin.step |
26 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/md/langevin.py |
(no function) |
14 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/md/logger.py |
MDLogger.__init__ |
29 |
9 |
0 |
68.97% |
| /builds/debichem-team/python-ase/ase/md/logger.py |
MDLogger.__del__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/md/logger.py |
MDLogger.__call__ |
16 |
4 |
0 |
75.00% |
| /builds/debichem-team/python-ase/ase/md/logger.py |
(no function) |
9 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/md/md.py |
process_temperature |
12 |
8 |
0 |
33.33% |
| /builds/debichem-team/python-ase/ase/md/md.py |
MolecularDynamics.__init__ |
12 |
1 |
0 |
91.67% |
| /builds/debichem-team/python-ase/ase/md/md.py |
MolecularDynamics.todict |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/md/md.py |
MolecularDynamics.irun |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/md/md.py |
MolecularDynamics.run |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/md/md.py |
MolecularDynamics.get_time |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/md/md.py |
MolecularDynamics.converged |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/md/md.py |
MolecularDynamics._get_com_velocity |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/md/md.py |
(no function) |
16 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/md/nose_hoover_chain.py |
NoseHooverChainNVT.__init__ |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/md/nose_hoover_chain.py |
NoseHooverChainNVT.step |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/md/nose_hoover_chain.py |
NoseHooverChainNVT.get_conserved_energy |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/md/nose_hoover_chain.py |
NoseHooverChainNVT._update_atoms |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/md/nose_hoover_chain.py |
NoseHooverChainNVT._get_forces |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/md/nose_hoover_chain.py |
NoseHooverChainNVT._integrate_q |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/md/nose_hoover_chain.py |
NoseHooverChainNVT._integrate_p |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/md/nose_hoover_chain.py |
NoseHooverChainThermostat.__init__ |
12 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/md/nose_hoover_chain.py |
NoseHooverChainThermostat.get_thermostat_energy |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/md/nose_hoover_chain.py |
NoseHooverChainThermostat.integrate_nhc |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/md/nose_hoover_chain.py |
NoseHooverChainThermostat._integrate_nhc_loop |
12 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/md/nose_hoover_chain.py |
NoseHooverChainThermostat._integrate_nhc_loop._integrate_p_eta_j |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/md/nose_hoover_chain.py |
NoseHooverChainThermostat._integrate_nhc_loop._integrate_eta |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/md/nose_hoover_chain.py |
NoseHooverChainThermostat._integrate_nhc_loop._integrate_nhc_p |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/md/nose_hoover_chain.py |
(no function) |
19 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/md/npt.py |
NPT.__init__ |
17 |
1 |
0 |
94.12% |
| /builds/debichem-team/python-ase/ase/md/npt.py |
NPT.set_temperature |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/md/npt.py |
NPT.set_stress |
10 |
7 |
0 |
30.00% |
| /builds/debichem-team/python-ase/ase/md/npt.py |
NPT.set_mask |
10 |
3 |
0 |
70.00% |
| /builds/debichem-team/python-ase/ase/md/npt.py |
NPT.set_fraction_traceless |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/md/npt.py |
NPT.get_strain_rate |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/md/npt.py |
NPT.set_strain_rate |
5 |
5 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/md/npt.py |
NPT.get_time |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/md/npt.py |
NPT.run |
8 |
1 |
0 |
87.50% |
| /builds/debichem-team/python-ase/ase/md/npt.py |
NPT.have_the_atoms_been_changed |
11 |
4 |
0 |
63.64% |
| /builds/debichem-team/python-ase/ase/md/npt.py |
NPT.step |
28 |
3 |
0 |
89.29% |
| /builds/debichem-team/python-ase/ase/md/npt.py |
NPT.forcecalculator |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/md/npt.py |
NPT.stresscalculator |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/md/npt.py |
NPT.initialize |
17 |
6 |
0 |
64.71% |
| /builds/debichem-team/python-ase/ase/md/npt.py |
NPT.get_gibbs_free_energy |
12 |
12 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/md/npt.py |
NPT.get_center_of_mass_momentum |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/md/npt.py |
NPT.zero_center_of_mass_momentum |
5 |
1 |
0 |
80.00% |
| /builds/debichem-team/python-ase/ase/md/npt.py |
NPT.attach_atoms |
14 |
14 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/md/npt.py |
NPT.attach |
4 |
2 |
0 |
50.00% |
| /builds/debichem-team/python-ase/ase/md/npt.py |
NPT.get_init_data |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/md/npt.py |
NPT.get_data |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/md/npt.py |
NPT.read_from_trajectory |
19 |
19 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/md/npt.py |
NPT._getbox |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/md/npt.py |
NPT._getmasses |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/md/npt.py |
NPT._separatetrace |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/md/npt.py |
NPT._warning |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/md/npt.py |
NPT._calculate_q_future |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/md/npt.py |
NPT._calculate_q_past_and_future |
13 |
1 |
0 |
92.31% |
| /builds/debichem-team/python-ase/ase/md/npt.py |
NPT._calculate_q_past_and_future.ekin |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/md/npt.py |
NPT._initialize_eta_h |
8 |
3 |
0 |
62.50% |
| /builds/debichem-team/python-ase/ase/md/npt.py |
NPT._makeuppertriangular |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/md/npt.py |
NPT._isuppertriangular |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/md/npt.py |
NPT._calculateconstants |
8 |
2 |
0 |
75.00% |
| /builds/debichem-team/python-ase/ase/md/npt.py |
NPT._setbox_and_positions |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/md/npt.py |
NPT._synchronize |
0 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/md/npt.py |
NPT._getnatoms |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/md/npt.py |
NPT._make_special_q_arrays |
4 |
4 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/md/npt.py |
WeakMethodWrapper.__init__ |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/md/npt.py |
WeakMethodWrapper.__call__ |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/md/npt.py |
(no function) |
51 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/md/nptberendsen.py |
NPTBerendsen.__init__ |
9 |
3 |
0 |
66.67% |
| /builds/debichem-team/python-ase/ase/md/nptberendsen.py |
NPTBerendsen.set_taup |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/md/nptberendsen.py |
NPTBerendsen.get_taup |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/md/nptberendsen.py |
NPTBerendsen.set_pressure |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/md/nptberendsen.py |
NPTBerendsen.get_pressure |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/md/nptberendsen.py |
NPTBerendsen.set_compressibility |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/md/nptberendsen.py |
NPTBerendsen.get_compressibility |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/md/nptberendsen.py |
NPTBerendsen.set_timestep |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/md/nptberendsen.py |
NPTBerendsen.get_timestep |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/md/nptberendsen.py |
NPTBerendsen.scale_positions_and_cell |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/md/nptberendsen.py |
NPTBerendsen.step |
15 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/md/nptberendsen.py |
NPTBerendsen._process_pressure |
7 |
4 |
0 |
42.86% |
| /builds/debichem-team/python-ase/ase/md/nptberendsen.py |
Inhomogeneous_NPTBerendsen.__init__ |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/md/nptberendsen.py |
Inhomogeneous_NPTBerendsen.scale_positions_and_cell |
14 |
14 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/md/nptberendsen.py |
(no function) |
21 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/md/nvtberendsen.py |
NVTBerendsen.__init__ |
7 |
1 |
0 |
85.71% |
| /builds/debichem-team/python-ase/ase/md/nvtberendsen.py |
NVTBerendsen.set_taut |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/md/nvtberendsen.py |
NVTBerendsen.get_taut |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/md/nvtberendsen.py |
NVTBerendsen.set_temperature |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/md/nvtberendsen.py |
NVTBerendsen.get_temperature |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/md/nvtberendsen.py |
NVTBerendsen.set_timestep |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/md/nvtberendsen.py |
NVTBerendsen.get_timestep |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/md/nvtberendsen.py |
NVTBerendsen.scale_velocities |
11 |
2 |
0 |
81.82% |
| /builds/debichem-team/python-ase/ase/md/nvtberendsen.py |
NVTBerendsen.step |
14 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/md/nvtberendsen.py |
(no function) |
15 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/md/switch_langevin.py |
SwitchLangevin.__init__ |
13 |
3 |
0 |
76.92% |
| /builds/debichem-team/python-ase/ase/md/switch_langevin.py |
SwitchLangevin.run |
14 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/md/switch_langevin.py |
SwitchLangevin.get_free_energy_difference |
7 |
1 |
0 |
85.71% |
| /builds/debichem-team/python-ase/ase/md/switch_langevin.py |
get_lambda |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/md/switch_langevin.py |
(no function) |
11 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/md/velocitydistribution.py |
force_temperature |
11 |
2 |
0 |
81.82% |
| /builds/debichem-team/python-ase/ase/md/velocitydistribution.py |
_maxwellboltzmanndistribution |
9 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/md/velocitydistribution.py |
MaxwellBoltzmannDistribution |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/md/velocitydistribution.py |
Stationary |
10 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/md/velocitydistribution.py |
ZeroRotation |
11 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/md/velocitydistribution.py |
n_BE |
5 |
1 |
0 |
80.00% |
| /builds/debichem-team/python-ase/ase/md/velocitydistribution.py |
phonon_harmonics |
44 |
17 |
0 |
61.36% |
| /builds/debichem-team/python-ase/ase/md/velocitydistribution.py |
PhononHarmonics |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/md/velocitydistribution.py |
(no function) |
15 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/md/verlet.py |
VelocityVerlet.step |
14 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/md/verlet.py |
(no function) |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/mep/__init__.py |
(no function) |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/mep/autoneb.py |
_forbid_optimizer_string |
11 |
6 |
0 |
45.45% |
| /builds/debichem-team/python-ase/ase/mep/autoneb.py |
AutoNEB.__init__ |
24 |
2 |
0 |
91.67% |
| /builds/debichem-team/python-ase/ase/mep/autoneb.py |
AutoNEB.execute_one_neb |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/mep/autoneb.py |
AutoNEB.iter_trajpath |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/mep/autoneb.py |
AutoNEB._execute_one_neb |
49 |
13 |
0 |
73.47% |
| /builds/debichem-team/python-ase/ase/mep/autoneb.py |
AutoNEB.run |
134 |
40 |
0 |
70.15% |
| /builds/debichem-team/python-ase/ase/mep/autoneb.py |
AutoNEB.__initialize__ |
33 |
10 |
0 |
69.70% |
| /builds/debichem-team/python-ase/ase/mep/autoneb.py |
AutoNEB.get_energies |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/mep/autoneb.py |
AutoNEB.get_energies_one_image |
5 |
2 |
0 |
60.00% |
| /builds/debichem-team/python-ase/ase/mep/autoneb.py |
AutoNEB.get_highest_energy_index |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/mep/autoneb.py |
AutoNEB.which_images_to_run_on |
22 |
2 |
0 |
90.91% |
| /builds/debichem-team/python-ase/ase/mep/autoneb.py |
seriel_writer.__init__ |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/mep/autoneb.py |
seriel_writer.write |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/mep/autoneb.py |
store_E_and_F_in_spc |
13 |
10 |
0 |
23.08% |
| /builds/debichem-team/python-ase/ase/mep/autoneb.py |
(no function) |
31 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/mep/dimer.py |
DimerOptimizable.__init__ |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/mep/dimer.py |
DimerOptimizable.converged |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/mep/dimer.py |
normalize |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/mep/dimer.py |
parallel_vector |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/mep/dimer.py |
perpendicular_vector |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/mep/dimer.py |
rotate_vectors |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/mep/dimer.py |
DimerEigenmodeSearch.__init__ |
21 |
11 |
0 |
47.62% |
| /builds/debichem-team/python-ase/ase/mep/dimer.py |
DimerEigenmodeSearch.converge_to_eigenmode |
45 |
5 |
0 |
88.89% |
| /builds/debichem-team/python-ase/ase/mep/dimer.py |
DimerEigenmodeSearch.log |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/mep/dimer.py |
DimerEigenmodeSearch.get_rotational_force |
7 |
2 |
0 |
71.43% |
| /builds/debichem-team/python-ase/ase/mep/dimer.py |
DimerEigenmodeSearch.update_curvature |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/mep/dimer.py |
DimerEigenmodeSearch.update_eigenmode |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/mep/dimer.py |
DimerEigenmodeSearch.get_eigenmode |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/mep/dimer.py |
DimerEigenmodeSearch.get_curvature |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/mep/dimer.py |
DimerEigenmodeSearch.get_control |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/mep/dimer.py |
DimerEigenmodeSearch.update_center_forces |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/mep/dimer.py |
DimerEigenmodeSearch.update_virtual_forces |
7 |
2 |
0 |
71.43% |
| /builds/debichem-team/python-ase/ase/mep/dimer.py |
DimerEigenmodeSearch.update_virtual_positions |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/mep/dimer.py |
DimerEigenmodeSearch.set_up_for_eigenmode_search |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/mep/dimer.py |
DimerEigenmodeSearch.set_up_for_optimization_step |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/mep/dimer.py |
MinModeControl.__init__ |
8 |
2 |
0 |
75.00% |
| /builds/debichem-team/python-ase/ase/mep/dimer.py |
MinModeControl.initialize_logfiles |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/mep/dimer.py |
MinModeControl.log |
0 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/mep/dimer.py |
MinModeControl.set_parameter |
6 |
3 |
0 |
50.00% |
| /builds/debichem-team/python-ase/ase/mep/dimer.py |
MinModeControl.get_parameter |
4 |
2 |
0 |
50.00% |
| /builds/debichem-team/python-ase/ase/mep/dimer.py |
MinModeControl.get_logfile |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/mep/dimer.py |
MinModeControl.get_eigenmode_logfile |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/mep/dimer.py |
MinModeControl.get_counter |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/mep/dimer.py |
MinModeControl.increment_counter |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/mep/dimer.py |
MinModeControl.reset_counter |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/mep/dimer.py |
MinModeControl.reset_all_counters |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/mep/dimer.py |
DimerControl.log |
12 |
1 |
0 |
91.67% |
| /builds/debichem-team/python-ase/ase/mep/dimer.py |
MinModeAtoms.__init__ |
33 |
12 |
0 |
63.64% |
| /builds/debichem-team/python-ase/ase/mep/dimer.py |
MinModeAtoms.__ase_optimizable__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/mep/dimer.py |
MinModeAtoms.save_original_forces |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/mep/dimer.py |
MinModeAtoms.initialize_eigenmodes |
29 |
17 |
0 |
41.38% |
| /builds/debichem-team/python-ase/ase/mep/dimer.py |
MinModeAtoms.calculation_required |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/mep/dimer.py |
MinModeAtoms.calculate_real_forces_and_energies |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/mep/dimer.py |
MinModeAtoms.get_potential_energy |
3 |
1 |
0 |
66.67% |
| /builds/debichem-team/python-ase/ase/mep/dimer.py |
MinModeAtoms.get_forces |
17 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/mep/dimer.py |
MinModeAtoms.ensure_eigenmode_orthogonality |
4 |
4 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/mep/dimer.py |
MinModeAtoms.find_eigenmodes |
11 |
3 |
0 |
72.73% |
| /builds/debichem-team/python-ase/ase/mep/dimer.py |
MinModeAtoms.get_projected_forces |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/mep/dimer.py |
MinModeAtoms.restore_original_positions |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/mep/dimer.py |
MinModeAtoms.get_barrier_energy |
8 |
4 |
0 |
50.00% |
| /builds/debichem-team/python-ase/ase/mep/dimer.py |
MinModeAtoms.get_control |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/mep/dimer.py |
MinModeAtoms.get_curvature |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/mep/dimer.py |
MinModeAtoms.get_eigenmode |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/mep/dimer.py |
MinModeAtoms.get_atoms |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/mep/dimer.py |
MinModeAtoms.set_atoms |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/mep/dimer.py |
MinModeAtoms.set_eigenmode |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/mep/dimer.py |
MinModeAtoms.set_curvature |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/mep/dimer.py |
MinModeAtoms.__getattr__ |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/mep/dimer.py |
MinModeAtoms.__len__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/mep/dimer.py |
MinModeAtoms.displace |
74 |
45 |
0 |
39.19% |
| /builds/debichem-team/python-ase/ase/mep/dimer.py |
MinModeAtoms.eigenmode_log |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/mep/dimer.py |
MinModeAtoms.displacement_log |
14 |
3 |
0 |
78.57% |
| /builds/debichem-team/python-ase/ase/mep/dimer.py |
MinModeAtoms.summarize |
12 |
12 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/mep/dimer.py |
MinModeTranslate.__init__ |
14 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/mep/dimer.py |
MinModeTranslate.initialize |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/mep/dimer.py |
MinModeTranslate.step |
24 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/mep/dimer.py |
MinModeTranslate.get_cg_direction |
13 |
1 |
0 |
92.31% |
| /builds/debichem-team/python-ase/ase/mep/dimer.py |
MinModeTranslate.log |
16 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/mep/dimer.py |
read_eigenmode |
27 |
27 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/mep/dimer.py |
(no function) |
85 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/mep/dyneb.py |
(no function) |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/mep/neb.py |
Spring.__init__ |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/mep/neb.py |
Spring._find_mic |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/mep/neb.py |
Spring.t |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/mep/neb.py |
Spring.nt |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/mep/neb.py |
NEBState.__init__ |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/mep/neb.py |
NEBState.spring |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/mep/neb.py |
NEBState.imax |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/mep/neb.py |
NEBState.emax |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/mep/neb.py |
NEBState.eqlength |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/mep/neb.py |
NEBState.nimages |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/mep/neb.py |
NEBState.precon |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/mep/neb.py |
NEBMethod.__init__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/mep/neb.py |
NEBMethod.get_tangent |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/mep/neb.py |
NEBMethod.add_image_force |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/mep/neb.py |
NEBMethod.adjust_positions |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/mep/neb.py |
ImprovedTangentMethod.get_tangent |
12 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/mep/neb.py |
ImprovedTangentMethod.add_image_force |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/mep/neb.py |
ASENEBMethod.get_tangent |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/mep/neb.py |
ASENEBMethod.add_image_force |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/mep/neb.py |
FullSpringMethod.get_tangent |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/mep/neb.py |
FullSpringMethod.add_image_force |
9 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/mep/neb.py |
BaseSplineMethod.__init__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/mep/neb.py |
BaseSplineMethod.get_tangent |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/mep/neb.py |
BaseSplineMethod.add_image_force |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/mep/neb.py |
SplineMethod.add_image_force |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/mep/neb.py |
StringMethod.adjust_positions |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/mep/neb.py |
get_neb_method |
11 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/mep/neb.py |
NEBOptimizable.__init__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/mep/neb.py |
NEBOptimizable.get_forces |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/mep/neb.py |
NEBOptimizable.get_potential_energy |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/mep/neb.py |
NEBOptimizable.is_neb |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/mep/neb.py |
NEBOptimizable.get_positions |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/mep/neb.py |
NEBOptimizable.set_positions |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/mep/neb.py |
NEBOptimizable.__len__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/mep/neb.py |
NEBOptimizable.iterimages |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/mep/neb.py |
BaseNEB.__init__ |
38 |
2 |
0 |
94.74% |
| /builds/debichem-team/python-ase/ase/mep/neb.py |
BaseNEB.__ase_optimizable__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/mep/neb.py |
BaseNEB.natoms |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/mep/neb.py |
BaseNEB.nimages |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/mep/neb.py |
BaseNEB.freeze_results_on_image |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/mep/neb.py |
BaseNEB.interpolate |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/mep/neb.py |
BaseNEB.idpp_interpolate |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/mep/neb.py |
BaseNEB.get_positions |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/mep/neb.py |
BaseNEB.set_positions |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/mep/neb.py |
BaseNEB.get_forces |
68 |
23 |
0 |
66.18% |
| /builds/debichem-team/python-ase/ase/mep/neb.py |
BaseNEB.get_residual |
3 |
1 |
0 |
66.67% |
| /builds/debichem-team/python-ase/ase/mep/neb.py |
BaseNEB.get_potential_energy |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/mep/neb.py |
BaseNEB.set_calculators |
12 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/mep/neb.py |
BaseNEB.__len__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/mep/neb.py |
BaseNEB.iterimages |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/mep/neb.py |
BaseNEB.spline_fit |
8 |
1 |
0 |
87.50% |
| /builds/debichem-team/python-ase/ase/mep/neb.py |
BaseNEB.integrate_forces |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/mep/neb.py |
DyNEB.__init__ |
7 |
2 |
0 |
71.43% |
| /builds/debichem-team/python-ase/ase/mep/neb.py |
DyNEB.set_positions |
13 |
2 |
0 |
84.62% |
| /builds/debichem-team/python-ase/ase/mep/neb.py |
DyNEB._fmax_all |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/mep/neb.py |
DyNEB.get_forces |
19 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/mep/neb.py |
_check_deprecation |
2 |
1 |
0 |
50.00% |
| /builds/debichem-team/python-ase/ase/mep/neb.py |
NEB.__init__ |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/mep/neb.py |
NEBOptimizer.__init__ |
12 |
1 |
0 |
91.67% |
| /builds/debichem-team/python-ase/ase/mep/neb.py |
NEBOptimizer.force_function |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/mep/neb.py |
NEBOptimizer.get_residual |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/mep/neb.py |
NEBOptimizer.log |
12 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/mep/neb.py |
NEBOptimizer.callback |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/mep/neb.py |
NEBOptimizer.run_ode |
5 |
2 |
0 |
60.00% |
| /builds/debichem-team/python-ase/ase/mep/neb.py |
NEBOptimizer.run_static |
8 |
1 |
0 |
87.50% |
| /builds/debichem-team/python-ase/ase/mep/neb.py |
NEBOptimizer.run |
8 |
1 |
0 |
87.50% |
| /builds/debichem-team/python-ase/ase/mep/neb.py |
IDPP.__init__ |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/mep/neb.py |
IDPP.calculate |
19 |
1 |
0 |
94.74% |
| /builds/debichem-team/python-ase/ase/mep/neb.py |
SingleCalculatorNEB.__init__ |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/mep/neb.py |
interpolate |
29 |
1 |
0 |
96.55% |
| /builds/debichem-team/python-ase/ase/mep/neb.py |
idpp_interpolate |
14 |
1 |
0 |
92.86% |
| /builds/debichem-team/python-ase/ase/mep/neb.py |
NEBTools.__init__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/mep/neb.py |
NEBTools.get_fit |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/mep/neb.py |
NEBTools.get_barrier |
10 |
1 |
0 |
90.00% |
| /builds/debichem-team/python-ase/ase/mep/neb.py |
NEBTools.get_fmax |
3 |
3 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/mep/neb.py |
NEBTools.plot_band |
3 |
3 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/mep/neb.py |
NEBTools.plot_bands |
29 |
29 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/mep/neb.py |
NEBTools._guess_nimages |
23 |
23 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/mep/neb.py |
NEBtools.__init__ |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/mep/neb.py |
plot_band_from_fit |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/mep/neb.py |
(no function) |
137 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/neb.py |
NEB.__init__ |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/neb.py |
NEBTools.__init__ |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/neb.py |
interpolate |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/neb.py |
idpp_interpolate |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/neb.py |
(no function) |
15 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/neighborlist.py |
natural_cutoffs |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/neighborlist.py |
build_neighbor_list |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/neighborlist.py |
get_distance_matrix |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/neighborlist.py |
get_distance_indices |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/neighborlist.py |
mic |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/neighborlist.py |
primitive_neighbor_list |
151 |
4 |
0 |
97.35% |
| /builds/debichem-team/python-ase/ase/neighborlist.py |
neighbor_list |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/neighborlist.py |
first_neighbors |
13 |
1 |
0 |
92.31% |
| /builds/debichem-team/python-ase/ase/neighborlist.py |
get_connectivity_matrix |
10 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/neighborlist.py |
NewPrimitiveNeighborList.__init__ |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/neighborlist.py |
NewPrimitiveNeighborList.update |
7 |
4 |
0 |
42.86% |
| /builds/debichem-team/python-ase/ase/neighborlist.py |
NewPrimitiveNeighborList.build |
25 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/neighborlist.py |
NewPrimitiveNeighborList.get_neighbors |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/neighborlist.py |
PrimitiveNeighborList.__init__ |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/neighborlist.py |
PrimitiveNeighborList.update |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/neighborlist.py |
PrimitiveNeighborList.build |
63 |
1 |
0 |
98.41% |
| /builds/debichem-team/python-ase/ase/neighborlist.py |
PrimitiveNeighborList.get_neighbors |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/neighborlist.py |
_calc_expansion |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/neighborlist.py |
_sort_neighbors |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/neighborlist.py |
NeighborList.__init__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/neighborlist.py |
NeighborList.update |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/neighborlist.py |
NeighborList.get_neighbors |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/neighborlist.py |
NeighborList.get_connectivity_matrix |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/neighborlist.py |
NeighborList.nupdates |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/neighborlist.py |
NeighborList.nneighbors |
4 |
4 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/neighborlist.py |
NeighborList.npbcneighbors |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/neighborlist.py |
(no function) |
43 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/nomad.py |
nmd2https |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/nomad.py |
download |
8 |
8 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/nomad.py |
read |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/nomad.py |
read.hook |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/nomad.py |
section_system_to_atoms |
22 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/nomad.py |
nomad_entry_to_images |
0 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/nomad.py |
NomadEntry.__init__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/nomad.py |
NomadEntry.hash |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/nomad.py |
NomadEntry.toatoms |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/nomad.py |
NomadEntry.iterimages |
13 |
2 |
0 |
84.62% |
| /builds/debichem-team/python-ase/ase/nomad.py |
main |
5 |
5 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/nomad.py |
(no function) |
20 |
1 |
0 |
95.00% |
| /builds/debichem-team/python-ase/ase/optimize/__init__.py |
(no function) |
13 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/basin.py |
BasinHopping.__init__ |
13 |
1 |
0 |
92.31% |
| /builds/debichem-team/python-ase/ase/optimize/basin.py |
BasinHopping.todict |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/basin.py |
BasinHopping.initialize |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/basin.py |
BasinHopping.run |
16 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/basin.py |
BasinHopping.log |
5 |
1 |
0 |
80.00% |
| /builds/debichem-team/python-ase/ase/optimize/basin.py |
BasinHopping._atoms |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/basin.py |
BasinHopping.move |
11 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/basin.py |
BasinHopping.get_minimum |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/basin.py |
BasinHopping.get_energy |
9 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/basin.py |
(no function) |
17 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/bfgs.py |
BFGS.__init__ |
9 |
1 |
0 |
88.89% |
| /builds/debichem-team/python-ase/ase/optimize/bfgs.py |
BFGS.initialize |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/bfgs.py |
BFGS.read |
4 |
1 |
0 |
75.00% |
| /builds/debichem-team/python-ase/ase/optimize/bfgs.py |
BFGS.step |
10 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/bfgs.py |
BFGS.prepare_step |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/bfgs.py |
BFGS.determine_step |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/bfgs.py |
BFGS.update |
11 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/bfgs.py |
BFGS.replay_trajectory |
15 |
15 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/optimize/bfgs.py |
oldBFGS.determine_step |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/optimize/bfgs.py |
(no function) |
18 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/bfgslinesearch.py |
BFGSLineSearch.__init__ |
21 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/bfgslinesearch.py |
BFGSLineSearch.read |
2 |
1 |
0 |
50.00% |
| /builds/debichem-team/python-ase/ase/optimize/bfgslinesearch.py |
BFGSLineSearch.reset |
5 |
5 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/optimize/bfgslinesearch.py |
BFGSLineSearch.step |
24 |
2 |
0 |
91.67% |
| /builds/debichem-team/python-ase/ase/optimize/bfgslinesearch.py |
BFGSLineSearch.update |
22 |
8 |
0 |
63.64% |
| /builds/debichem-team/python-ase/ase/optimize/bfgslinesearch.py |
BFGSLineSearch.func |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/bfgslinesearch.py |
BFGSLineSearch.fprime |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/bfgslinesearch.py |
BFGSLineSearch.replay_trajectory |
17 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/bfgslinesearch.py |
BFGSLineSearch.log |
13 |
1 |
0 |
92.31% |
| /builds/debichem-team/python-ase/ase/optimize/bfgslinesearch.py |
wrap_function |
3 |
3 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/optimize/bfgslinesearch.py |
wrap_function.function_wrapper |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/optimize/bfgslinesearch.py |
(no function) |
22 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/cellawarebfgs.py |
calculate_isotropic_elasticity_tensor |
10 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/cellawarebfgs.py |
CellAwareBFGS.__init__ |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/cellawarebfgs.py |
CellAwareBFGS.initialize |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/cellawarebfgs.py |
CellAwareBFGS.converged |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/cellawarebfgs.py |
CellAwareBFGS.run |
5 |
1 |
0 |
80.00% |
| /builds/debichem-team/python-ase/ase/optimize/cellawarebfgs.py |
CellAwareBFGS.log |
24 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/cellawarebfgs.py |
(no function) |
15 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/climbfixinternals.py |
BFGSClimbFixInternals.__init__ |
10 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/climbfixinternals.py |
BFGSClimbFixInternals.read |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/optimize/climbfixinternals.py |
BFGSClimbFixInternals.step |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/climbfixinternals.py |
BFGSClimbFixInternals.pretend2climb |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/climbfixinternals.py |
BFGSClimbFixInternals.update_positions_and_targetvalue |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/climbfixinternals.py |
BFGSClimbFixInternals.relax_remaining_dof |
9 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/climbfixinternals.py |
BFGSClimbFixInternals.get_scaled_fmax |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/climbfixinternals.py |
BFGSClimbFixInternals.get_projected_forces |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/climbfixinternals.py |
BFGSClimbFixInternals.get_total_forces |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/climbfixinternals.py |
BFGSClimbFixInternals.converged |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/climbfixinternals.py |
BFGSClimbFixInternals.log |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/climbfixinternals.py |
get_fixinternals |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/climbfixinternals.py |
get_constr2climb |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/climbfixinternals.py |
(no function) |
20 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/fire.py |
_forbid_maxmove |
9 |
1 |
0 |
88.89% |
| /builds/debichem-team/python-ase/ase/optimize/fire.py |
_forbid_maxmove._pop_arg |
8 |
4 |
0 |
50.00% |
| /builds/debichem-team/python-ase/ase/optimize/fire.py |
FIRE.__init__ |
15 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/fire.py |
FIRE.initialize |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/fire.py |
FIRE.read |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/optimize/fire.py |
FIRE.step |
39 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/fire.py |
(no function) |
12 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/fire2.py |
FIRE2.__init__ |
16 |
1 |
0 |
93.75% |
| /builds/debichem-team/python-ase/ase/optimize/fire2.py |
FIRE2.initialize |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/fire2.py |
FIRE2.read |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/optimize/fire2.py |
FIRE2.step |
40 |
1 |
0 |
97.50% |
| /builds/debichem-team/python-ase/ase/optimize/fire2.py |
(no function) |
9 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/gpmin/__init__.py |
(no function) |
0 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/gpmin/gp.py |
GaussianProcess.__init__ |
6 |
2 |
0 |
66.67% |
| /builds/debichem-team/python-ase/ase/optimize/gpmin/gp.py |
GaussianProcess.set_hyperparams |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/gpmin/gp.py |
GaussianProcess.train |
12 |
1 |
0 |
91.67% |
| /builds/debichem-team/python-ase/ase/optimize/gpmin/gp.py |
GaussianProcess.predict |
10 |
5 |
0 |
50.00% |
| /builds/debichem-team/python-ase/ase/optimize/gpmin/gp.py |
GaussianProcess.neg_log_likelihood |
10 |
10 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/optimize/gpmin/gp.py |
GaussianProcess.fit_hyperparameters |
12 |
12 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/optimize/gpmin/gp.py |
(no function) |
12 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/gpmin/gpmin.py |
GPMin.__init__ |
47 |
21 |
0 |
55.32% |
| /builds/debichem-team/python-ase/ase/optimize/gpmin/gpmin.py |
GPMin.acquisition |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/gpmin/gpmin.py |
GPMin.update |
17 |
6 |
0 |
64.71% |
| /builds/debichem-team/python-ase/ase/optimize/gpmin/gpmin.py |
GPMin.relax_model |
5 |
2 |
0 |
60.00% |
| /builds/debichem-team/python-ase/ase/optimize/gpmin/gpmin.py |
GPMin.fit_to_batch |
3 |
3 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/optimize/gpmin/gpmin.py |
GPMin.step |
27 |
2 |
0 |
92.59% |
| /builds/debichem-team/python-ase/ase/optimize/gpmin/gpmin.py |
GPMin.dump |
3 |
2 |
0 |
33.33% |
| /builds/debichem-team/python-ase/ase/optimize/gpmin/gpmin.py |
GPMin.read |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/optimize/gpmin/gpmin.py |
(no function) |
18 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/gpmin/kernel.py |
Kernel.__init__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/gpmin/kernel.py |
Kernel.set_params |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/optimize/gpmin/kernel.py |
Kernel.kernel |
0 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/gpmin/kernel.py |
Kernel.K |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/optimize/gpmin/kernel.py |
SE_kernel.__init__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/gpmin/kernel.py |
SE_kernel.set_params |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/gpmin/kernel.py |
SE_kernel.squared_distance |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/gpmin/kernel.py |
SE_kernel.kernel |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/optimize/gpmin/kernel.py |
SE_kernel.dK_dweight |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/optimize/gpmin/kernel.py |
SE_kernel.dK_dl |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/optimize/gpmin/kernel.py |
SquaredExponential.__init__ |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/gpmin/kernel.py |
SquaredExponential.kernel_function |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/gpmin/kernel.py |
SquaredExponential.kernel_function_gradient |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/gpmin/kernel.py |
SquaredExponential.kernel_function_hessian |
3 |
3 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/optimize/gpmin/kernel.py |
SquaredExponential.kernel |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/gpmin/kernel.py |
SquaredExponential.kernel_matrix |
11 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/gpmin/kernel.py |
SquaredExponential.kernel_vector |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/gpmin/kernel.py |
SquaredExponential.dK_dweight |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/optimize/gpmin/kernel.py |
SquaredExponential.dK_dl_k |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/optimize/gpmin/kernel.py |
SquaredExponential.dK_dl_j |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/optimize/gpmin/kernel.py |
SquaredExponential.dK_dl_h |
4 |
4 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/optimize/gpmin/kernel.py |
SquaredExponential.dK_dl_matrix |
5 |
5 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/optimize/gpmin/kernel.py |
SquaredExponential.dK_dl |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/optimize/gpmin/kernel.py |
SquaredExponential.gradient |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/optimize/gpmin/kernel.py |
(no function) |
29 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/gpmin/prior.py |
Prior.__init__ |
0 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/gpmin/prior.py |
Prior.prior |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/gpmin/prior.py |
ZeroPrior.__init__ |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/optimize/gpmin/prior.py |
ZeroPrior.potential |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/optimize/gpmin/prior.py |
ConstantPrior.__init__ |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/gpmin/prior.py |
ConstantPrior.potential |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/gpmin/prior.py |
ConstantPrior.set_constant |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/gpmin/prior.py |
CalculatorPrior.__init__ |
3 |
3 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/optimize/gpmin/prior.py |
CalculatorPrior.potential |
4 |
4 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/optimize/gpmin/prior.py |
(no function) |
14 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/lbfgs.py |
LBFGS.__init__ |
13 |
2 |
0 |
84.62% |
| /builds/debichem-team/python-ase/ase/optimize/lbfgs.py |
LBFGS.initialize |
9 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/lbfgs.py |
LBFGS.read |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/optimize/lbfgs.py |
LBFGS.step |
32 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/lbfgs.py |
LBFGS.determine_step |
5 |
1 |
0 |
80.00% |
| /builds/debichem-team/python-ase/ase/optimize/lbfgs.py |
LBFGS.update |
11 |
3 |
0 |
72.73% |
| /builds/debichem-team/python-ase/ase/optimize/lbfgs.py |
LBFGS.replay_trajectory |
14 |
14 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/optimize/lbfgs.py |
LBFGS.func |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/lbfgs.py |
LBFGS.fprime |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/lbfgs.py |
LBFGS.line_search |
10 |
2 |
0 |
80.00% |
| /builds/debichem-team/python-ase/ase/optimize/lbfgs.py |
LBFGSLineSearch.__init__ |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/lbfgs.py |
(no function) |
18 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/mdmin.py |
MDMin.__init__ |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/mdmin.py |
MDMin.initialize |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/mdmin.py |
MDMin.read |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/optimize/mdmin.py |
MDMin.step |
17 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/mdmin.py |
(no function) |
10 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/minimahopping.py |
MinimaHopping.__init__ |
11 |
1 |
0 |
90.91% |
| /builds/debichem-team/python-ase/ase/optimize/minimahopping.py |
MinimaHopping.__call__ |
14 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/minimahopping.py |
MinimaHopping._startup |
20 |
2 |
0 |
90.00% |
| /builds/debichem-team/python-ase/ase/optimize/minimahopping.py |
MinimaHopping._resume |
47 |
18 |
0 |
61.70% |
| /builds/debichem-team/python-ase/ase/optimize/minimahopping.py |
MinimaHopping._check_results |
38 |
11 |
0 |
71.05% |
| /builds/debichem-team/python-ase/ase/optimize/minimahopping.py |
MinimaHopping._log |
22 |
1 |
0 |
95.45% |
| /builds/debichem-team/python-ase/ase/optimize/minimahopping.py |
MinimaHopping._optimize |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/minimahopping.py |
MinimaHopping._record_minimum |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/minimahopping.py |
MinimaHopping._read_minima |
10 |
1 |
0 |
90.00% |
| /builds/debichem-team/python-ase/ase/optimize/minimahopping.py |
MinimaHopping._molecular_dynamics |
36 |
15 |
0 |
58.33% |
| /builds/debichem-team/python-ase/ase/optimize/minimahopping.py |
MinimaHopping._unique_minimum_position |
11 |
1 |
0 |
90.91% |
| /builds/debichem-team/python-ase/ase/optimize/minimahopping.py |
ComparePositions.__init__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/minimahopping.py |
ComparePositions.__call__ |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/minimahopping.py |
ComparePositions._translated_compare |
29 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/minimahopping.py |
ComparePositions._get_least_common |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/minimahopping.py |
ComparePositions._indistinguishable_compare |
14 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/minimahopping.py |
PassedMinimum.__init__ |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/minimahopping.py |
PassedMinimum.__call__ |
14 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/minimahopping.py |
MHPlot.__init__ |
7 |
7 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/optimize/minimahopping.py |
MHPlot.get_figure |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/optimize/minimahopping.py |
MHPlot.save_figure |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/optimize/minimahopping.py |
MHPlot._read_log |
37 |
37 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/optimize/minimahopping.py |
MHPlot._makecanvas |
29 |
29 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/optimize/minimahopping.py |
MHPlot._set_zoomed_range |
5 |
5 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/optimize/minimahopping.py |
MHPlot._plot_data |
6 |
6 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/optimize/minimahopping.py |
MHPlot._plot_energy |
12 |
12 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/optimize/minimahopping.py |
MHPlot._plot_md |
14 |
14 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/optimize/minimahopping.py |
MHPlot._plot_qn |
12 |
12 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/optimize/minimahopping.py |
MHPlot._plot_parameters |
11 |
11 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/optimize/minimahopping.py |
floatornan |
5 |
5 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/optimize/minimahopping.py |
CombinedAxis.__init__ |
5 |
5 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/optimize/minimahopping.py |
CombinedAxis.set_ax1_range |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/optimize/minimahopping.py |
CombinedAxis.plot |
7 |
7 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/optimize/minimahopping.py |
CombinedAxis.set_xlim |
4 |
4 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/optimize/minimahopping.py |
CombinedAxis.text |
5 |
5 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/optimize/minimahopping.py |
(no function) |
48 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/ode.py |
ode12r |
65 |
10 |
0 |
84.62% |
| /builds/debichem-team/python-ase/ase/optimize/ode.py |
ode12r.callback |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/optimize/ode.py |
ode12r.residual |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/ode.py |
ode12r.apply_precon |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/ode.py |
ode12r.log |
2 |
1 |
0 |
50.00% |
| /builds/debichem-team/python-ase/ase/optimize/ode.py |
ode12r.debug |
2 |
1 |
0 |
50.00% |
| /builds/debichem-team/python-ase/ase/optimize/ode.py |
ode12r.converged |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/ode.py |
ODE12r.__init__ |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/ode.py |
ODE12r.apply_precon |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/ode.py |
ODE12r.call_fmin |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/ode.py |
(no function) |
9 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/oldqn.py |
f |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/oldqn.py |
scale_radius_energy |
16 |
4 |
0 |
75.00% |
| /builds/debichem-team/python-ase/ase/optimize/oldqn.py |
scale_radius_force |
17 |
4 |
0 |
76.47% |
| /builds/debichem-team/python-ase/ase/optimize/oldqn.py |
find_lamda |
16 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/oldqn.py |
GoodOldQuasiNewton.__init__ |
18 |
3 |
0 |
83.33% |
| /builds/debichem-team/python-ase/ase/optimize/oldqn.py |
GoodOldQuasiNewton.initialize |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/oldqn.py |
GoodOldQuasiNewton.write_log |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/oldqn.py |
GoodOldQuasiNewton.set_hessian |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/oldqn.py |
GoodOldQuasiNewton.get_hessian |
3 |
3 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/optimize/oldqn.py |
GoodOldQuasiNewton.set_default_hessian |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/oldqn.py |
GoodOldQuasiNewton.update_hessian |
13 |
4 |
0 |
69.23% |
| /builds/debichem-team/python-ase/ase/optimize/oldqn.py |
GoodOldQuasiNewton.update_hessian_bfgs |
11 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/oldqn.py |
GoodOldQuasiNewton.update_hessian_powell |
17 |
17 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/optimize/oldqn.py |
GoodOldQuasiNewton.update_hessian_bofill |
21 |
21 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/optimize/oldqn.py |
GoodOldQuasiNewton.step |
52 |
9 |
0 |
82.69% |
| /builds/debichem-team/python-ase/ase/optimize/oldqn.py |
GoodOldQuasiNewton.get_energy_estimate |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/oldqn.py |
GoodOldQuasiNewton.get_gbar_estimate |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/oldqn.py |
GoodOldQuasiNewton.get_lambdas |
23 |
8 |
0 |
65.22% |
| /builds/debichem-team/python-ase/ase/optimize/oldqn.py |
GoodOldQuasiNewton.get_hessian_inertia |
5 |
1 |
0 |
80.00% |
| /builds/debichem-team/python-ase/ase/optimize/oldqn.py |
GoodOldQuasiNewton.get_force_prediction |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/oldqn.py |
(no function) |
28 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/optimize.py |
OptimizableAtoms.__init__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/optimize.py |
OptimizableAtoms.get_positions |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/optimize.py |
OptimizableAtoms.set_positions |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/optimize.py |
OptimizableAtoms.get_forces |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/optimize.py |
OptimizableAtoms._use_force_consistent_energy |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/optimize.py |
OptimizableAtoms.get_potential_energy |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/optimize.py |
OptimizableAtoms.iterimages |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/optimize.py |
OptimizableAtoms.__len__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/optimize.py |
Dynamics.__init__ |
14 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/optimize.py |
Dynamics.todict |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/optimize/optimize.py |
Dynamics.get_number_of_steps |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/optimize.py |
Dynamics.insert_observer |
3 |
3 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/optimize/optimize.py |
Dynamics.attach |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/optimize.py |
Dynamics.call_observers |
10 |
3 |
0 |
70.00% |
| /builds/debichem-team/python-ase/ase/optimize/optimize.py |
Dynamics.irun |
17 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/optimize.py |
Dynamics.run |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/optimize.py |
Dynamics.converged |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/optimize.py |
Dynamics.log |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/optimize.py |
Dynamics.step |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/optimize/optimize.py |
Optimizer.__init__ |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/optimize.py |
Optimizer.read |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/optimize/optimize.py |
Optimizer.todict |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/optimize.py |
Optimizer.initialize |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/optimize.py |
Optimizer.irun |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/optimize.py |
Optimizer.run |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/optimize.py |
Optimizer.converged |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/optimize.py |
Optimizer.log |
15 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/optimize.py |
Optimizer.dump |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/optimize.py |
Optimizer.load |
10 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/optimize.py |
(no function) |
50 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/precon/__init__.py |
PreconODE12r.__init__ |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/precon/__init__.py |
(no function) |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/precon/fire.py |
PreconFIRE.__init__ |
17 |
1 |
0 |
94.12% |
| /builds/debichem-team/python-ase/ase/optimize/precon/fire.py |
PreconFIRE.initialize |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/precon/fire.py |
PreconFIRE.read |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/optimize/precon/fire.py |
PreconFIRE.step |
46 |
5 |
0 |
89.13% |
| /builds/debichem-team/python-ase/ase/optimize/precon/fire.py |
PreconFIRE.func |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/precon/fire.py |
PreconFIRE.run |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/precon/fire.py |
PreconFIRE.converged |
10 |
5 |
0 |
50.00% |
| /builds/debichem-team/python-ase/ase/optimize/precon/fire.py |
PreconFIRE.log |
18 |
5 |
0 |
72.22% |
| /builds/debichem-team/python-ase/ase/optimize/precon/fire.py |
(no function) |
13 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/precon/lbfgs.py |
PreconLBFGS.__init__ |
28 |
1 |
0 |
96.43% |
| /builds/debichem-team/python-ase/ase/optimize/precon/lbfgs.py |
PreconLBFGS.reset_hessian |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/precon/lbfgs.py |
PreconLBFGS.initialize |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/precon/lbfgs.py |
PreconLBFGS.read |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/optimize/precon/lbfgs.py |
PreconLBFGS.step |
37 |
3 |
0 |
91.89% |
| /builds/debichem-team/python-ase/ase/optimize/precon/lbfgs.py |
PreconLBFGS.update |
12 |
3 |
0 |
75.00% |
| /builds/debichem-team/python-ase/ase/optimize/precon/lbfgs.py |
PreconLBFGS.replay_trajectory |
14 |
14 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/optimize/precon/lbfgs.py |
PreconLBFGS.func |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/precon/lbfgs.py |
PreconLBFGS.fprime |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/precon/lbfgs.py |
PreconLBFGS.line_search |
24 |
3 |
0 |
87.50% |
| /builds/debichem-team/python-ase/ase/optimize/precon/lbfgs.py |
PreconLBFGS.run |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/precon/lbfgs.py |
PreconLBFGS.log |
18 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/precon/lbfgs.py |
PreconLBFGS.converged |
10 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/precon/lbfgs.py |
(no function) |
23 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/precon/neighbors.py |
get_neighbours |
13 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/precon/neighbors.py |
estimate_nearest_neighbour_distance |
17 |
1 |
0 |
94.12% |
| /builds/debichem-team/python-ase/ase/optimize/precon/neighbors.py |
(no function) |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/precon/precon.py |
create_pyamg_solver |
6 |
1 |
0 |
83.33% |
| /builds/debichem-team/python-ase/ase/optimize/precon/precon.py |
Precon.make_precon |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/optimize/precon/precon.py |
Precon.Pdot |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/optimize/precon/precon.py |
Precon.dot |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/precon/precon.py |
Precon.norm |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/precon/precon.py |
Precon.vdot |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/precon/precon.py |
Precon.solve |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/optimize/precon/precon.py |
Precon.apply |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/precon/precon.py |
Precon.copy |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/optimize/precon/precon.py |
Precon.asarray |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/optimize/precon/precon.py |
Logfile.__init__ |
5 |
3 |
0 |
40.00% |
| /builds/debichem-team/python-ase/ase/optimize/precon/precon.py |
Logfile.write |
3 |
1 |
0 |
66.67% |
| /builds/debichem-team/python-ase/ase/optimize/precon/precon.py |
SparsePrecon.__init__ |
33 |
8 |
0 |
75.76% |
| /builds/debichem-team/python-ase/ase/optimize/precon/precon.py |
SparsePrecon.copy |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/precon/precon.py |
SparsePrecon.Pdot |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/precon/precon.py |
SparsePrecon.solve |
6 |
1 |
0 |
83.33% |
| /builds/debichem-team/python-ase/ase/optimize/precon/precon.py |
SparsePrecon.estimate_mu |
80 |
33 |
0 |
58.75% |
| /builds/debichem-team/python-ase/ase/optimize/precon/precon.py |
SparsePrecon.asarray |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/precon/precon.py |
SparsePrecon.one_dim_to_ndim |
19 |
5 |
0 |
73.68% |
| /builds/debichem-team/python-ase/ase/optimize/precon/precon.py |
SparsePrecon.create_solver |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/precon/precon.py |
SparseCoeffPrecon._make_sparse_precon |
42 |
5 |
0 |
88.10% |
| /builds/debichem-team/python-ase/ase/optimize/precon/precon.py |
SparseCoeffPrecon.make_precon |
29 |
3 |
0 |
89.66% |
| /builds/debichem-team/python-ase/ase/optimize/precon/precon.py |
SparseCoeffPrecon.get_coeff |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/optimize/precon/precon.py |
Pfrommer.__init__ |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/precon/precon.py |
Pfrommer.make_precon |
17 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/precon/precon.py |
Pfrommer.Pdot |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/optimize/precon/precon.py |
Pfrommer.solve |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/precon/precon.py |
Pfrommer.copy |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/optimize/precon/precon.py |
Pfrommer.asarray |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/precon/precon.py |
IdentityPrecon.make_precon |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/precon/precon.py |
IdentityPrecon.Pdot |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/precon/precon.py |
IdentityPrecon.solve |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/precon/precon.py |
IdentityPrecon.copy |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/precon/precon.py |
IdentityPrecon.asarray |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/precon/precon.py |
C1.__init__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/precon/precon.py |
C1.get_coeff |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/precon/precon.py |
Exp.__init__ |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/precon/precon.py |
Exp.get_coeff |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/precon/precon.py |
ij_to_x |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/precon/precon.py |
ijk_to_x |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/precon/precon.py |
ijkl_to_x |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/precon/precon.py |
apply_fixed |
12 |
1 |
0 |
91.67% |
| /builds/debichem-team/python-ase/ase/optimize/precon/precon.py |
FF.__init__ |
8 |
1 |
0 |
87.50% |
| /builds/debichem-team/python-ase/ase/optimize/precon/precon.py |
FF.make_precon |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/precon/precon.py |
FF.add_morse |
12 |
4 |
0 |
66.67% |
| /builds/debichem-team/python-ase/ase/optimize/precon/precon.py |
FF.add_bond |
12 |
2 |
0 |
83.33% |
| /builds/debichem-team/python-ase/ase/optimize/precon/precon.py |
FF.add_angle |
12 |
4 |
0 |
66.67% |
| /builds/debichem-team/python-ase/ase/optimize/precon/precon.py |
FF.add_dihedral |
12 |
4 |
0 |
66.67% |
| /builds/debichem-team/python-ase/ase/optimize/precon/precon.py |
FF._make_sparse_precon |
26 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/precon/precon.py |
Exp_FF.__init__ |
9 |
1 |
0 |
88.89% |
| /builds/debichem-team/python-ase/ase/optimize/precon/precon.py |
Exp_FF.make_precon |
29 |
4 |
0 |
86.21% |
| /builds/debichem-team/python-ase/ase/optimize/precon/precon.py |
Exp_FF._make_sparse_precon |
55 |
7 |
0 |
87.27% |
| /builds/debichem-team/python-ase/ase/optimize/precon/precon.py |
make_precon |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/precon/precon.py |
SplineFit.__init__ |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/precon/precon.py |
SplineFit.s |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/precon/precon.py |
SplineFit.x_data |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/precon/precon.py |
SplineFit.x |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/precon/precon.py |
SplineFit.dx_ds |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/precon/precon.py |
SplineFit.d2x_ds2 |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/precon/precon.py |
PreconImages.__init__ |
13 |
1 |
0 |
92.31% |
| /builds/debichem-team/python-ase/ase/optimize/precon/precon.py |
PreconImages.__len__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/precon/precon.py |
PreconImages.__iter__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/precon/precon.py |
PreconImages.__getitem__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/precon/precon.py |
PreconImages.apply |
8 |
1 |
0 |
87.50% |
| /builds/debichem-team/python-ase/ase/optimize/precon/precon.py |
PreconImages.average_norm |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/precon/precon.py |
PreconImages.get_tangent |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/precon/precon.py |
PreconImages.get_residual |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/precon/precon.py |
PreconImages.get_spring_force |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/precon/precon.py |
PreconImages.get_coordinates |
20 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/precon/precon.py |
PreconImages.spline_fit |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/precon/precon.py |
PreconImages.spline |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/precon/precon.py |
(no function) |
118 |
2 |
0 |
98.31% |
| /builds/debichem-team/python-ase/ase/optimize/sciopt.py |
SciPyOptimizer.__init__ |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/sciopt.py |
SciPyOptimizer.x0 |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/sciopt.py |
SciPyOptimizer.f |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/sciopt.py |
SciPyOptimizer.fprime |
5 |
1 |
0 |
80.00% |
| /builds/debichem-team/python-ase/ase/optimize/sciopt.py |
SciPyOptimizer.callback |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/sciopt.py |
SciPyOptimizer.run |
10 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/sciopt.py |
SciPyOptimizer.dump |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/optimize/sciopt.py |
SciPyOptimizer.load |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/optimize/sciopt.py |
SciPyOptimizer.call_fmin |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/optimize/sciopt.py |
SciPyFminCG.call_fmin |
4 |
1 |
0 |
75.00% |
| /builds/debichem-team/python-ase/ase/optimize/sciopt.py |
SciPyFminBFGS.call_fmin |
4 |
1 |
0 |
75.00% |
| /builds/debichem-team/python-ase/ase/optimize/sciopt.py |
SciPyGradientlessOptimizer.__init__ |
4 |
4 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/optimize/sciopt.py |
SciPyGradientlessOptimizer.x0 |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/optimize/sciopt.py |
SciPyGradientlessOptimizer.f |
3 |
3 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/optimize/sciopt.py |
SciPyGradientlessOptimizer.callback |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/optimize/sciopt.py |
SciPyGradientlessOptimizer.run |
8 |
8 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/optimize/sciopt.py |
SciPyGradientlessOptimizer.dump |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/optimize/sciopt.py |
SciPyGradientlessOptimizer.load |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/optimize/sciopt.py |
SciPyGradientlessOptimizer.call_fmin |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/optimize/sciopt.py |
SciPyFmin.call_fmin |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/optimize/sciopt.py |
SciPyFminPowell.__init__ |
5 |
5 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/optimize/sciopt.py |
SciPyFminPowell.call_fmin |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/optimize/sciopt.py |
(no function) |
37 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/outputs.py |
Properties.__init__ |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/outputs.py |
Properties.__len__ |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/outputs.py |
Properties.__iter__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/outputs.py |
Properties.__getitem__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/outputs.py |
Properties._setvalue |
12 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/outputs.py |
Properties.shape_is_consistent |
10 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/outputs.py |
Properties.__repr__ |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/outputs.py |
Property.__init__ |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/outputs.py |
Property.normalize_type |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/outputs.py |
Property.__repr__ |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/outputs.py |
ScalarProperty.__init__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/outputs.py |
ScalarProperty.normalize_type |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/outputs.py |
ArrayProperty.normalize_type |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/outputs.py |
_defineprop |
9 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/outputs.py |
(no function) |
47 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/parallel.py |
get_txt |
9 |
9 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/parallel.py |
paropen |
5 |
1 |
0 |
80.00% |
| /builds/debichem-team/python-ase/ase/parallel.py |
parprint |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/parallel.py |
DummyMPI._returnval |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/parallel.py |
DummyMPI.sum |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/parallel.py |
DummyMPI.sum_scalar |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/parallel.py |
DummyMPI.product |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/parallel.py |
DummyMPI.broadcast |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/parallel.py |
DummyMPI.barrier |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/parallel.py |
MPI.__init__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/parallel.py |
MPI.__getattr__ |
5 |
1 |
0 |
80.00% |
| /builds/debichem-team/python-ase/ase/parallel.py |
_get_comm |
11 |
7 |
0 |
36.36% |
| /builds/debichem-team/python-ase/ase/parallel.py |
MPI4PY.__init__ |
4 |
4 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/parallel.py |
MPI4PY.rank |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/parallel.py |
MPI4PY.size |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/parallel.py |
MPI4PY._returnval |
6 |
6 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/parallel.py |
MPI4PY.sum |
6 |
6 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/parallel.py |
MPI4PY.sum_scalar |
4 |
4 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/parallel.py |
MPI4PY.split |
6 |
6 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/parallel.py |
MPI4PY.barrier |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/parallel.py |
MPI4PY.abort |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/parallel.py |
MPI4PY.broadcast |
6 |
6 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/parallel.py |
barrier |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/parallel.py |
broadcast |
13 |
4 |
0 |
69.23% |
| /builds/debichem-team/python-ase/ase/parallel.py |
parallel_function |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/parallel.py |
parallel_function.new_func |
13 |
11 |
0 |
15.38% |
| /builds/debichem-team/python-ase/ase/parallel.py |
parallel_generator |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/parallel.py |
parallel_generator.new_generator |
21 |
17 |
0 |
19.05% |
| /builds/debichem-team/python-ase/ase/parallel.py |
register_parallel_cleanup_function |
4 |
2 |
0 |
50.00% |
| /builds/debichem-team/python-ase/ase/parallel.py |
register_parallel_cleanup_function.cleanup |
7 |
7 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/parallel.py |
distribute_cpus |
7 |
7 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/parallel.py |
myslice |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/parallel.py |
(no function) |
67 |
12 |
0 |
82.09% |
| /builds/debichem-team/python-ase/ase/phasediagram.py |
parse_formula |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/phasediagram.py |
float2str |
10 |
2 |
0 |
80.00% |
| /builds/debichem-team/python-ase/ase/phasediagram.py |
solvated |
16 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/phasediagram.py |
bisect |
25 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/phasediagram.py |
print_results |
11 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/phasediagram.py |
Pourbaix.__init__ |
21 |
2 |
0 |
90.48% |
| /builds/debichem-team/python-ase/ase/phasediagram.py |
Pourbaix.decompose |
31 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/phasediagram.py |
Pourbaix.diagram |
32 |
13 |
0 |
59.38% |
| /builds/debichem-team/python-ase/ase/phasediagram.py |
Pourbaix.colorfunction |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/phasediagram.py |
PhaseDiagram.__init__ |
50 |
4 |
0 |
92.00% |
| /builds/debichem-team/python-ase/ase/phasediagram.py |
PhaseDiagram.decompose |
34 |
2 |
0 |
94.12% |
| /builds/debichem-team/python-ase/ase/phasediagram.py |
PhaseDiagram.plot |
30 |
30 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/phasediagram.py |
PhaseDiagram.plot2d2 |
21 |
21 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/phasediagram.py |
PhaseDiagram.plot2d3 |
14 |
14 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/phasediagram.py |
PhaseDiagram.plot3d3 |
14 |
14 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/phasediagram.py |
PhaseDiagram.plot3d4 |
15 |
15 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/phasediagram.py |
(no function) |
31 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/phonons.py |
Displacement.__init__ |
11 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/phonons.py |
Displacement.define_offset |
5 |
2 |
0 |
60.00% |
| /builds/debichem-team/python-ase/ase/phonons.py |
Displacement.N_c |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/phonons.py |
Displacement.supercell |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/phonons.py |
Displacement.supercell |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/phonons.py |
Displacement.lattice_vectors |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/phonons.py |
Displacement.compute_lattice_vectors |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/phonons.py |
Displacement.__call__ |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/phonons.py |
Displacement.set_atoms |
11 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/phonons.py |
Displacement._eq_disp |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/phonons.py |
Displacement._disp |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/phonons.py |
Displacement.run |
24 |
1 |
0 |
95.83% |
| /builds/debichem-team/python-ase/ase/phonons.py |
Displacement.clean |
5 |
1 |
0 |
80.00% |
| /builds/debichem-team/python-ase/ase/phonons.py |
Displacement._clean |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/phonons.py |
Phonons.__init__ |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/phonons.py |
Phonons.deprecate_refcell |
5 |
3 |
0 |
40.00% |
| /builds/debichem-team/python-ase/ase/phonons.py |
Phonons.__call__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/phonons.py |
Phonons.calculate |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/phonons.py |
Phonons.check_eq_forces |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/phonons.py |
Phonons.read_born_charges |
6 |
6 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/phonons.py |
Phonons.read |
38 |
4 |
0 |
89.47% |
| /builds/debichem-team/python-ase/ase/phonons.py |
Phonons.symmetrize |
12 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/phonons.py |
Phonons.acoustic |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/phonons.py |
Phonons.apply_cutoff |
13 |
13 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/phonons.py |
Phonons.get_force_constant |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/phonons.py |
Phonons.get_band_structure |
7 |
1 |
0 |
85.71% |
| /builds/debichem-team/python-ase/ase/phonons.py |
Phonons.compute_dynamical_matrix |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/phonons.py |
Phonons.band_structure |
38 |
10 |
0 |
73.68% |
| /builds/debichem-team/python-ase/ase/phonons.py |
Phonons.get_dos |
12 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/phonons.py |
Phonons.dos |
11 |
11 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/phonons.py |
Phonons.write_modes |
25 |
2 |
0 |
92.00% |
| /builds/debichem-team/python-ase/ase/phonons.py |
(no function) |
54 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/pourbaix.py |
parse_formula |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/pourbaix.py |
initialize_refs |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/pourbaix.py |
get_product_combos |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/pourbaix.py |
get_phases |
10 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/pourbaix.py |
get_main_products |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/pourbaix.py |
format_label |
12 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/pourbaix.py |
make_coeff_nice |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/pourbaix.py |
add_numbers |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/pourbaix.py |
add_labels |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/pourbaix.py |
wrap_text |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/pourbaix.py |
add_phase_labels |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/pourbaix.py |
add_redox_lines |
11 |
4 |
0 |
63.64% |
| /builds/debichem-team/python-ase/ase/pourbaix.py |
Species.__init__ |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/pourbaix.py |
Species.__eq__ |
3 |
3 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/pourbaix.py |
Species.__lt__ |
3 |
3 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/pourbaix.py |
Species.from_string |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/pourbaix.py |
Species.get_chemsys |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/pourbaix.py |
Species.balance_electrochemistry |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/pourbaix.py |
Species._count_array |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/pourbaix.py |
Species.contains |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/pourbaix.py |
Species.get_fractional_composition |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/pourbaix.py |
Species.__repr__ |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/pourbaix.py |
RedOx.__init__ |
21 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/pourbaix.py |
RedOx.from_species |
12 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/pourbaix.py |
RedOx.get_ref_correction |
12 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/pourbaix.py |
RedOx.equation |
11 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/pourbaix.py |
RedOx.get_free_energy |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/pourbaix.py |
Pourbaix.__init__ |
10 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/pourbaix.py |
Pourbaix._decompose |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/pourbaix.py |
Pourbaix._get_pourbaix_energy |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/pourbaix.py |
Pourbaix.get_pourbaix_energy |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/pourbaix.py |
Pourbaix.get_equations |
6 |
6 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/pourbaix.py |
Pourbaix.diagram |
20 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/pourbaix.py |
Pourbaix.get_phase_boundaries |
42 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/pourbaix.py |
Pourbaix.get_phase_boundaries.are_boundaries_there |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/pourbaix.py |
PourbaixDiagram.__post_init__ |
5 |
2 |
0 |
60.00% |
| /builds/debichem-team/python-ase/ase/pourbaix.py |
PourbaixDiagram.__post_init__._issorted |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/pourbaix.py |
PourbaixDiagram.pHrange |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/pourbaix.py |
PourbaixDiagram.Urange |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/pourbaix.py |
PourbaixDiagram._draw_diagram_axes |
50 |
1 |
0 |
98.00% |
| /builds/debichem-team/python-ase/ase/pourbaix.py |
PourbaixDiagram.plot |
9 |
3 |
0 |
66.67% |
| /builds/debichem-team/python-ase/ase/pourbaix.py |
(no function) |
71 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/quaternions.py |
Quaternions.__init__ |
8 |
8 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/quaternions.py |
Quaternions.set_shapes |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/quaternions.py |
Quaternions.set_quaternions |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/quaternions.py |
Quaternions.get_shapes |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/quaternions.py |
Quaternions.get_quaternions |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/quaternions.py |
Quaternion.__init__ |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/quaternions.py |
Quaternion.__str__ |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/quaternions.py |
Quaternion.__mul__ |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/quaternions.py |
Quaternion.conjugate |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/quaternions.py |
Quaternion.rotate |
13 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/quaternions.py |
Quaternion.rotation_matrix |
12 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/quaternions.py |
Quaternion.axis_angle |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/quaternions.py |
Quaternion.euler_angles |
17 |
3 |
0 |
82.35% |
| /builds/debichem-team/python-ase/ase/quaternions.py |
Quaternion.arc_distance |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/quaternions.py |
Quaternion.rotate_byq |
13 |
13 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/quaternions.py |
Quaternion.from_matrix |
26 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/quaternions.py |
Quaternion.from_axis_angle |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/quaternions.py |
Quaternion.from_euler_angles |
8 |
1 |
0 |
87.50% |
| /builds/debichem-team/python-ase/ase/quaternions.py |
(no function) |
26 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spacegroup/__init__.py |
(no function) |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spacegroup/crystal_data.py |
validate_space_group |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spacegroup/crystal_data.py |
get_bravais_class |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spacegroup/crystal_data.py |
get_point_group |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spacegroup/crystal_data.py |
polar_space_group |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spacegroup/crystal_data.py |
(no function) |
14 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spacegroup/spacegroup.py |
Spacegroup.no |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spacegroup/spacegroup.py |
Spacegroup.symbol |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spacegroup/spacegroup.py |
Spacegroup.setting |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spacegroup/spacegroup.py |
Spacegroup.lattice |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spacegroup/spacegroup.py |
Spacegroup.centrosymmetric |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spacegroup/spacegroup.py |
Spacegroup.scaled_primitive_cell |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spacegroup/spacegroup.py |
Spacegroup.reciprocal_cell |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spacegroup/spacegroup.py |
Spacegroup.nsubtrans |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spacegroup/spacegroup.py |
Spacegroup.nsymop |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/spacegroup/spacegroup.py |
Spacegroup.subtrans |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spacegroup/spacegroup.py |
Spacegroup.rotations |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spacegroup/spacegroup.py |
Spacegroup.translations |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spacegroup/spacegroup.py |
Spacegroup.__init__ |
16 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spacegroup/spacegroup.py |
Spacegroup.__repr__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spacegroup/spacegroup.py |
Spacegroup.todict |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spacegroup/spacegroup.py |
Spacegroup.__str__ |
36 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spacegroup/spacegroup.py |
Spacegroup.__eq__ |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/spacegroup/spacegroup.py |
Spacegroup.__ne__ |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/spacegroup/spacegroup.py |
Spacegroup.__lt__ |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/spacegroup/spacegroup.py |
Spacegroup.__index__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spacegroup/spacegroup.py |
Spacegroup.get_symop |
10 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spacegroup/spacegroup.py |
Spacegroup.get_op |
10 |
4 |
0 |
60.00% |
| /builds/debichem-team/python-ase/ase/spacegroup/spacegroup.py |
Spacegroup.get_rotations |
3 |
1 |
0 |
66.67% |
| /builds/debichem-team/python-ase/ase/spacegroup/spacegroup.py |
Spacegroup.equivalent_reflections |
10 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spacegroup/spacegroup.py |
Spacegroup.equivalent_lattice_points |
9 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spacegroup/spacegroup.py |
Spacegroup.symmetry_normalised_reflections |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spacegroup/spacegroup.py |
Spacegroup.unique_reflections |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spacegroup/spacegroup.py |
Spacegroup.equivalent_sites |
29 |
4 |
0 |
86.21% |
| /builds/debichem-team/python-ase/ase/spacegroup/spacegroup.py |
Spacegroup.equivalent_sites.find_orbit |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spacegroup/spacegroup.py |
Spacegroup.symmetry_normalised_sites |
11 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spacegroup/spacegroup.py |
Spacegroup.unique_sites |
10 |
1 |
0 |
90.00% |
| /builds/debichem-team/python-ase/ase/spacegroup/spacegroup.py |
Spacegroup.tag_sites |
18 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spacegroup/spacegroup.py |
get_datafile |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spacegroup/spacegroup.py |
format_symbol |
18 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spacegroup/spacegroup.py |
_skip_to_blank |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spacegroup/spacegroup.py |
_skip_to_nonblank |
9 |
1 |
0 |
88.89% |
| /builds/debichem-team/python-ase/ase/spacegroup/spacegroup.py |
_read_datafile_entry |
18 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spacegroup/spacegroup.py |
_read_datafile |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spacegroup/spacegroup.py |
_read_f |
19 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spacegroup/spacegroup.py |
parse_sitesym_element |
26 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spacegroup/spacegroup.py |
parse_sitesym_single |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spacegroup/spacegroup.py |
parse_sitesym |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spacegroup/spacegroup.py |
spacegroup_from_data |
29 |
12 |
0 |
58.62% |
| /builds/debichem-team/python-ase/ase/spacegroup/spacegroup.py |
get_spacegroup |
6 |
6 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/spacegroup/spacegroup.py |
(no function) |
72 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spacegroup/symmetrize.py |
spglib_get_symmetry_dataset |
7 |
2 |
0 |
71.43% |
| /builds/debichem-team/python-ase/ase/spacegroup/symmetrize.py |
SpglibDatasetWrapper.__init__ |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/spacegroup/symmetrize.py |
SpglibDatasetWrapper.__getattr__ |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/spacegroup/symmetrize.py |
SpglibDatasetWrapper.__getitem__ |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/spacegroup/symmetrize.py |
SpglibDatasetWrapper.__len__ |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/spacegroup/symmetrize.py |
SpglibDatasetWrapper.__iter__ |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/spacegroup/symmetrize.py |
SpglibDatasetWrapper.__setitem__ |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/spacegroup/symmetrize.py |
SpglibDatasetWrapper.__delitem__ |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/spacegroup/symmetrize.py |
print_symmetry |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spacegroup/symmetrize.py |
refine_symmetry |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spacegroup/symmetrize.py |
get_symmetrized_atoms |
9 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spacegroup/symmetrize.py |
_check_and_symmetrize_cell |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spacegroup/symmetrize.py |
_symmetrize_cell |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spacegroup/symmetrize.py |
_check_and_symmetrize_positions |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spacegroup/symmetrize.py |
_symmetrize_positions |
18 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spacegroup/symmetrize.py |
check_symmetry |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spacegroup/symmetrize.py |
is_subgroup |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spacegroup/symmetrize.py |
prep_symmetry |
17 |
1 |
0 |
94.12% |
| /builds/debichem-team/python-ase/ase/spacegroup/symmetrize.py |
symmetrize_rank1 |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spacegroup/symmetrize.py |
symmetrize_rank2 |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spacegroup/symmetrize.py |
(no function) |
27 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spacegroup/utils.py |
_has_spglib |
6 |
2 |
0 |
66.67% |
| /builds/debichem-team/python-ase/ase/spacegroup/utils.py |
_get_basis_ase |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spacegroup/utils.py |
_get_basis_ase.scaled_in_sites |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spacegroup/utils.py |
_get_basis_ase._get_basis |
10 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spacegroup/utils.py |
_get_basis_spglib |
5 |
1 |
0 |
80.00% |
| /builds/debichem-team/python-ase/ase/spacegroup/utils.py |
_can_use_spglib |
5 |
1 |
0 |
80.00% |
| /builds/debichem-team/python-ase/ase/spacegroup/utils.py |
get_basis |
11 |
2 |
0 |
81.82% |
| /builds/debichem-team/python-ase/ase/spacegroup/utils.py |
_get_reduced_indices |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spacegroup/utils.py |
(no function) |
11 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spacegroup/xtal.py |
crystal |
62 |
5 |
0 |
91.94% |
| /builds/debichem-team/python-ase/ase/spacegroup/xtal.py |
parse_symbols |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spacegroup/xtal.py |
(no function) |
10 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spectrum/__init__.py |
(no function) |
0 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spectrum/band_structure.py |
calculate_band_structure |
36 |
9 |
0 |
75.00% |
| /builds/debichem-team/python-ase/ase/spectrum/band_structure.py |
get_band_structure |
18 |
1 |
0 |
94.44% |
| /builds/debichem-team/python-ase/ase/spectrum/band_structure.py |
BandStructurePlot.__init__ |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spectrum/band_structure.py |
BandStructurePlot.plot |
51 |
16 |
0 |
68.63% |
| /builds/debichem-team/python-ase/ase/spectrum/band_structure.py |
BandStructurePlot.prepare_plot |
24 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spectrum/band_structure.py |
BandStructurePlot.prepare_plot.pretty |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spectrum/band_structure.py |
BandStructurePlot.finish_plot |
8 |
3 |
0 |
62.50% |
| /builds/debichem-team/python-ase/ase/spectrum/band_structure.py |
BandStructure.__init__ |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spectrum/band_structure.py |
BandStructure.energies |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spectrum/band_structure.py |
BandStructure.path |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spectrum/band_structure.py |
BandStructure.reference |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spectrum/band_structure.py |
BandStructure.subtract_reference |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spectrum/band_structure.py |
BandStructure.todict |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spectrum/band_structure.py |
BandStructure.get_labels |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spectrum/band_structure.py |
BandStructure.plot |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spectrum/band_structure.py |
BandStructure.__repr__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spectrum/band_structure.py |
(no function) |
25 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spectrum/doscollection.py |
DOSCollection.__init__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spectrum/doscollection.py |
DOSCollection._sample |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spectrum/doscollection.py |
DOSCollection.plot |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spectrum/doscollection.py |
DOSCollection.sample_grid |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spectrum/doscollection.py |
DOSCollection.from_data |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spectrum/doscollection.py |
DOSCollection._check_weights_and_info |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spectrum/doscollection.py |
DOSCollection.__getitem__ |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/spectrum/doscollection.py |
DOSCollection.__getitem__ |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/spectrum/doscollection.py |
DOSCollection.__getitem__ |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spectrum/doscollection.py |
DOSCollection.__len__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spectrum/doscollection.py |
DOSCollection._almost_equals |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spectrum/doscollection.py |
DOSCollection.total |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spectrum/doscollection.py |
DOSCollection.sum_all |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spectrum/doscollection.py |
DOSCollection._select_to_list |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spectrum/doscollection.py |
DOSCollection.select |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spectrum/doscollection.py |
DOSCollection.select_not |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spectrum/doscollection.py |
DOSCollection.sum_by |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spectrum/doscollection.py |
DOSCollection.sum_by._matching_info_tuples |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spectrum/doscollection.py |
DOSCollection.__add__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spectrum/doscollection.py |
_add_to_collection |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spectrum/doscollection.py |
_add_data |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spectrum/doscollection.py |
RawDOSCollection.__init__ |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spectrum/doscollection.py |
GridDOSCollection.__init__ |
15 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spectrum/doscollection.py |
GridDOSCollection.get_energies |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spectrum/doscollection.py |
GridDOSCollection.get_all_weights |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spectrum/doscollection.py |
GridDOSCollection.__len__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spectrum/doscollection.py |
GridDOSCollection.__getitem__ |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/spectrum/doscollection.py |
GridDOSCollection.__getitem__ |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/spectrum/doscollection.py |
GridDOSCollection.__getitem__ |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spectrum/doscollection.py |
GridDOSCollection.from_data |
12 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spectrum/doscollection.py |
GridDOSCollection.select |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spectrum/doscollection.py |
GridDOSCollection.select_not |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spectrum/doscollection.py |
GridDOSCollection.plot |
10 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spectrum/doscollection.py |
GridDOSCollection._plot_broadened |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spectrum/doscollection.py |
(no function) |
55 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spectrum/dosdata.py |
DOSData.__init__ |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spectrum/dosdata.py |
DOSData.get_energies |
0 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spectrum/dosdata.py |
DOSData.get_weights |
0 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spectrum/dosdata.py |
DOSData.copy |
0 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spectrum/dosdata.py |
DOSData._sample |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spectrum/dosdata.py |
DOSData._almost_equals |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spectrum/dosdata.py |
DOSData._delta |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spectrum/dosdata.py |
DOSData._check_positive_width |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spectrum/dosdata.py |
DOSData.sample_grid |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spectrum/dosdata.py |
DOSData.plot |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spectrum/dosdata.py |
DOSData.label_from_info |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spectrum/dosdata.py |
GeneralDOSData.__init__ |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spectrum/dosdata.py |
GeneralDOSData.get_energies |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spectrum/dosdata.py |
GeneralDOSData.get_weights |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spectrum/dosdata.py |
GeneralDOSData.copy |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spectrum/dosdata.py |
RawDOSData.__add__ |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spectrum/dosdata.py |
RawDOSData.plot_deltas |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spectrum/dosdata.py |
GridDOSData.__init__ |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spectrum/dosdata.py |
GridDOSData._check_spacing |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spectrum/dosdata.py |
GridDOSData._sample |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spectrum/dosdata.py |
GridDOSData.__add__ |
10 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spectrum/dosdata.py |
GridDOSData._interpret_smearing_args |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spectrum/dosdata.py |
GridDOSData.plot |
14 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spectrum/dosdata.py |
(no function) |
43 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/stress.py |
get_elasticity_tensor |
24 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/stress.py |
full_3x3_to_voigt_6_index |
3 |
3 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/stress.py |
voigt_6_to_full_3x3_strain |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/stress.py |
voigt_6_to_full_3x3_stress |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/stress.py |
full_3x3_to_voigt_6_strain |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/stress.py |
full_3x3_to_voigt_6_stress |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/stress.py |
(no function) |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/symbols.py |
string2symbols |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/symbols.py |
symbols2numbers |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/symbols.py |
Symbols.__init__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/symbols.py |
Symbols.fromsymbols |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/symbols.py |
Symbols.formula |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/symbols.py |
Symbols.__getitem__ |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/symbols.py |
Symbols.__iter__ |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/symbols.py |
Symbols.__setitem__ |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/symbols.py |
Symbols.__len__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/symbols.py |
Symbols.__str__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/symbols.py |
Symbols.__repr__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/symbols.py |
Symbols.__eq__ |
7 |
3 |
0 |
57.14% |
| /builds/debichem-team/python-ase/ase/symbols.py |
Symbols.get_chemical_formula |
26 |
1 |
0 |
96.15% |
| /builds/debichem-team/python-ase/ase/symbols.py |
Symbols.search |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/symbols.py |
Symbols.species |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/symbols.py |
Symbols.indices |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/symbols.py |
Symbols.species_indices |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/symbols.py |
(no function) |
28 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/thermochemistry.py |
ThermoChem.get_ZPE_correction |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/thermochemistry.py |
ThermoChem._vibrational_energy_contribution |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/thermochemistry.py |
ThermoChem._vibrational_entropy_contribution |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/thermochemistry.py |
ThermoChem._vprint |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/thermochemistry.py |
HarmonicThermo.__init__ |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/thermochemistry.py |
HarmonicThermo.get_internal_energy |
18 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/thermochemistry.py |
HarmonicThermo.get_entropy |
14 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/thermochemistry.py |
HarmonicThermo.get_helmholtz_energy |
16 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/thermochemistry.py |
HinderedThermo.__init__ |
28 |
5 |
0 |
82.14% |
| /builds/debichem-team/python-ase/ase/thermochemistry.py |
HinderedThermo.get_internal_energy |
31 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/thermochemistry.py |
HinderedThermo.get_zero_point_energy |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/thermochemistry.py |
HinderedThermo.get_entropy |
32 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/thermochemistry.py |
HinderedThermo.get_helmholtz_energy |
16 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/thermochemistry.py |
IdealGasThermo.__init__ |
23 |
3 |
0 |
86.96% |
| /builds/debichem-team/python-ase/ase/thermochemistry.py |
IdealGasThermo.get_enthalpy |
32 |
2 |
0 |
93.75% |
| /builds/debichem-team/python-ase/ase/thermochemistry.py |
IdealGasThermo.get_entropy |
42 |
2 |
0 |
95.24% |
| /builds/debichem-team/python-ase/ase/thermochemistry.py |
IdealGasThermo.get_gibbs_energy |
16 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/thermochemistry.py |
CrystalThermo.__init__ |
7 |
2 |
0 |
71.43% |
| /builds/debichem-team/python-ase/ase/thermochemistry.py |
CrystalThermo.get_internal_energy |
32 |
5 |
0 |
84.38% |
| /builds/debichem-team/python-ase/ase/thermochemistry.py |
CrystalThermo.get_entropy |
22 |
4 |
0 |
81.82% |
| /builds/debichem-team/python-ase/ase/thermochemistry.py |
CrystalThermo.get_helmholtz_energy |
18 |
1 |
0 |
94.44% |
| /builds/debichem-team/python-ase/ase/thermochemistry.py |
_clean_vib_energies |
11 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/thermochemistry.py |
(no function) |
32 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/transport/__init__.py |
(no function) |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/transport/calculators.py |
TransportCalculator.__init__ |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/transport/calculators.py |
TransportCalculator.set |
21 |
7 |
0 |
66.67% |
| /builds/debichem-team/python-ase/ase/transport/calculators.py |
TransportCalculator.set.Trash.write |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/transport/calculators.py |
TransportCalculator.set.Trash.flush |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/transport/calculators.py |
TransportCalculator.initialize |
66 |
17 |
0 |
74.24% |
| /builds/debichem-team/python-ase/ase/transport/calculators.py |
TransportCalculator.update |
33 |
4 |
0 |
87.88% |
| /builds/debichem-team/python-ase/ase/transport/calculators.py |
TransportCalculator.print_pl_convergence |
9 |
9 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/transport/calculators.py |
TransportCalculator.plot_pl_convergence |
9 |
9 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/transport/calculators.py |
TransportCalculator.get_current |
17 |
17 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/transport/calculators.py |
TransportCalculator.get_transmission |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/transport/calculators.py |
TransportCalculator.get_dos |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/transport/calculators.py |
TransportCalculator.get_eigenchannels |
5 |
5 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/transport/calculators.py |
TransportCalculator.get_pdos |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/transport/calculators.py |
TransportCalculator.subdiagonalize_bfs |
16 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/transport/calculators.py |
TransportCalculator.cutcoupling_bfs |
15 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/transport/calculators.py |
TransportCalculator.lowdin_rotation |
14 |
14 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/transport/calculators.py |
TransportCalculator.get_left_channels |
24 |
24 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/transport/calculators.py |
(no function) |
22 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/transport/greenfunction.py |
GreenFunction.__init__ |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/transport/greenfunction.py |
GreenFunction.retarded |
14 |
3 |
0 |
78.57% |
| /builds/debichem-team/python-ase/ase/transport/greenfunction.py |
GreenFunction.calculate |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/transport/greenfunction.py |
GreenFunction.apply_retarded |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/transport/greenfunction.py |
GreenFunction.dos |
4 |
1 |
0 |
75.00% |
| /builds/debichem-team/python-ase/ase/transport/greenfunction.py |
GreenFunction.pdos |
5 |
1 |
0 |
80.00% |
| /builds/debichem-team/python-ase/ase/transport/greenfunction.py |
(no function) |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/transport/selfenergy.py |
LeadSelfEnergy.__init__ |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/transport/selfenergy.py |
LeadSelfEnergy.retarded |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/transport/selfenergy.py |
LeadSelfEnergy.set_bias |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/transport/selfenergy.py |
LeadSelfEnergy.get_lambda |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/transport/selfenergy.py |
LeadSelfEnergy.get_sgfinv |
17 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/transport/selfenergy.py |
BoxProbe.__init__ |
8 |
8 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/transport/selfenergy.py |
BoxProbe.retarded |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/transport/selfenergy.py |
(no function) |
11 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/transport/stm.py |
STM.__init__ |
15 |
15 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/transport/stm.py |
STM.initialize |
43 |
43 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/transport/stm.py |
STM.get_transmission |
31 |
31 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/transport/stm.py |
STM.get_current |
10 |
10 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/transport/stm.py |
(no function) |
11 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/transport/tools.py |
dagger |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/transport/tools.py |
rotate_matrix |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/transport/tools.py |
get_subspace |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/transport/tools.py |
normalize |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/transport/tools.py |
subdiagonalize |
16 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/transport/tools.py |
cutcoupling |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/transport/tools.py |
fermidistribution |
6 |
6 |
0 |
0.00% |
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(no function) |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/units.py |
Units.__init__ |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/units.py |
create_units |
38 |
0 |
0 |
100.00% |
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(no function) |
8 |
0 |
0 |
100.00% |
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tokenize_version |
11 |
0 |
0 |
100.00% |
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deprecated |
3 |
0 |
0 |
100.00% |
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deprecated.deprecated_decorator |
2 |
0 |
0 |
100.00% |
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deprecated.deprecated_decorator.deprecated_function |
4 |
0 |
0 |
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seterr |
4 |
0 |
0 |
100.00% |
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plural |
3 |
0 |
0 |
100.00% |
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DevNull.write |
1 |
1 |
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DevNull.flush |
1 |
1 |
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DevNull.seek |
1 |
1 |
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DevNull.tell |
1 |
0 |
0 |
100.00% |
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DevNull.close |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/utils/__init__.py |
DevNull.isatty |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/utils/__init__.py |
DevNull.read |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/utils/__init__.py |
convert_string_to_fd |
9 |
3 |
0 |
66.67% |
| /builds/debichem-team/python-ase/ase/utils/__init__.py |
xwopen |
5 |
0 |
0 |
100.00% |
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opencew |
1 |
0 |
0 |
100.00% |
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_opencew |
25 |
3 |
0 |
88.00% |
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_opencew.opener |
1 |
0 |
0 |
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opencew_text |
4 |
4 |
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Lock.__init__ |
5 |
0 |
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Lock.acquire |
12 |
0 |
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100.00% |
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Lock.release |
5 |
0 |
0 |
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Lock.__enter__ |
1 |
0 |
0 |
100.00% |
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Lock.__exit__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/utils/__init__.py |
OpenLock.acquire |
1 |
1 |
0 |
0.00% |
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OpenLock.release |
1 |
1 |
0 |
0.00% |
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OpenLock.__enter__ |
1 |
1 |
0 |
0.00% |
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OpenLock.__exit__ |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/utils/__init__.py |
search_current_git_hash |
28 |
7 |
0 |
75.00% |
| /builds/debichem-team/python-ase/ase/utils/__init__.py |
rotate |
11 |
0 |
0 |
100.00% |
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givens |
17 |
0 |
0 |
100.00% |
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irotate |
8 |
0 |
0 |
100.00% |
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pbc2pbc |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/utils/__init__.py |
string2index |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/utils/__init__.py |
hsv2rgb |
21 |
21 |
0 |
0.00% |
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hsv |
5 |
5 |
0 |
0.00% |
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longsum |
1 |
0 |
0 |
100.00% |
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workdir |
8 |
0 |
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100.00% |
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iofunction.__init__ |
1 |
0 |
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iofunction.__call__ |
2 |
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iofunction.__call__.iofunc |
10 |
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writer |
1 |
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reader |
1 |
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write_json |
2 |
0 |
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read_json |
4 |
0 |
0 |
100.00% |
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jsonable |
2 |
0 |
0 |
100.00% |
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jsonable.jsonableclass |
6 |
1 |
0 |
83.33% |
| /builds/debichem-team/python-ase/ase/utils/__init__.py |
experimental |
3 |
3 |
0 |
0.00% |
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experimental.expfunc |
2 |
2 |
0 |
0.00% |
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lazymethod |
4 |
0 |
0 |
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lazymethod.getter |
7 |
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atoms_to_spglib_cell |
1 |
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warn_legacy |
1 |
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lazyproperty |
1 |
0 |
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IOContext._exitstack |
1 |
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IOContext.__enter__ |
1 |
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IOContext.__exit__ |
1 |
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IOContext.closelater |
1 |
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IOContext.close |
1 |
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IOContext.openfile |
8 |
0 |
0 |
100.00% |
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get_python_package_path_description |
7 |
1 |
0 |
85.71% |
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(no function) |
100 |
0 |
0 |
100.00% |
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Optimizable.get_positions |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/utils/abc.py |
Optimizable.set_positions |
1 |
1 |
0 |
0.00% |
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Optimizable.get_forces |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/utils/abc.py |
Optimizable.get_potential_energy |
1 |
1 |
0 |
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Optimizable.iterimages |
1 |
1 |
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Optimizable.converged |
1 |
0 |
0 |
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Optimizable.is_neb |
1 |
0 |
0 |
100.00% |
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Optimizable.__ase_optimizable__ |
1 |
0 |
0 |
100.00% |
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(no function) |
17 |
0 |
0 |
100.00% |
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forward_inplace_call |
4 |
0 |
0 |
100.00% |
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forward_inplace_call.f |
3 |
0 |
0 |
100.00% |
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wrap_array_attribute |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/utils/arraywrapper.py |
wrap_array_attribute.attr |
2 |
0 |
0 |
100.00% |
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arraylike |
11 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/utils/arraywrapper.py |
(no function) |
10 |
0 |
0 |
100.00% |
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cextension |
8 |
6 |
0 |
25.00% |
| /builds/debichem-team/python-ase/ase/utils/cext.py |
(no function) |
6 |
0 |
0 |
100.00% |
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exec_and_check_modules |
4 |
0 |
0 |
100.00% |
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check_imports |
23 |
6 |
0 |
73.91% |
| /builds/debichem-team/python-ase/ase/utils/checkimports.py |
(no function) |
19 |
9 |
0 |
52.63% |
| /builds/debichem-team/python-ase/ase/utils/cube.py |
grid_2d_slice |
36 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/utils/cube.py |
(no function) |
3 |
0 |
0 |
100.00% |
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delta |
11 |
11 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/utils/deltacodesdft.py |
(no function) |
3 |
0 |
0 |
100.00% |
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Morse.__init__ |
6 |
0 |
0 |
100.00% |
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Bond.__init__ |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/utils/ff.py |
Angle.__init__ |
9 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/utils/ff.py |
Dihedral.__init__ |
10 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/utils/ff.py |
VdW.__init__ |
22 |
7 |
0 |
68.18% |
| /builds/debichem-team/python-ase/ase/utils/ff.py |
Coulomb.__init__ |
8 |
8 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/utils/ff.py |
get_morse_potential_eta |
9 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/utils/ff.py |
get_morse_potential_value |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/utils/ff.py |
get_morse_potential_gradient |
10 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/utils/ff.py |
get_morse_potential_hessian |
17 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/utils/ff.py |
get_morse_potential_reduced_hessian |
11 |
11 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/utils/ff.py |
get_bond_potential_value |
7 |
7 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/utils/ff.py |
get_bond_potential_gradient |
9 |
9 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/utils/ff.py |
get_bond_potential_hessian |
24 |
6 |
0 |
75.00% |
| /builds/debichem-team/python-ase/ase/utils/ff.py |
get_bond_potential_reduced_hessian |
18 |
18 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/utils/ff.py |
get_bond_potential_reduced_hessian_test |
4 |
4 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/utils/ff.py |
get_angle_potential_value |
20 |
3 |
0 |
85.00% |
| /builds/debichem-team/python-ase/ase/utils/ff.py |
get_angle_potential_gradient |
32 |
7 |
0 |
78.12% |
| /builds/debichem-team/python-ase/ase/utils/ff.py |
get_angle_potential_hessian |
62 |
9 |
0 |
85.48% |
| /builds/debichem-team/python-ase/ase/utils/ff.py |
get_angle_potential_reduced_hessian |
47 |
47 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/utils/ff.py |
get_angle_potential_reduced_hessian_test |
4 |
4 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/utils/ff.py |
get_dihedral_potential_value |
26 |
6 |
0 |
76.92% |
| /builds/debichem-team/python-ase/ase/utils/ff.py |
get_dihedral_potential_gradient |
39 |
6 |
0 |
84.62% |
| /builds/debichem-team/python-ase/ase/utils/ff.py |
get_dihedral_potential_hessian |
34 |
7 |
0 |
79.41% |
| /builds/debichem-team/python-ase/ase/utils/ff.py |
get_dihedral_potential_reduced_hessian |
51 |
51 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/utils/ff.py |
get_dihedral_potential_reduced_hessian_test |
7 |
7 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/utils/ff.py |
get_vdw_potential_value |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/utils/ff.py |
get_vdw_potential_gradient |
9 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/utils/ff.py |
get_vdw_potential_hessian |
16 |
4 |
0 |
75.00% |
| /builds/debichem-team/python-ase/ase/utils/ff.py |
get_coulomb_potential_value |
7 |
7 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/utils/ff.py |
get_coulomb_potential_gradient |
9 |
9 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/utils/ff.py |
get_coulomb_potential_hessian |
16 |
16 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/utils/ff.py |
rel_pos_pbc |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/utils/ff.py |
(no function) |
45 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/utils/filecache.py |
missing |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/utils/filecache.py |
JSONBackend.open_for_writing |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/utils/filecache.py |
JSONBackend.read |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/utils/filecache.py |
JSONBackend.open_and_write |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/utils/filecache.py |
JSONBackend.write |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/utils/filecache.py |
JSONBackend.dump_cache |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/utils/filecache.py |
JSONBackend.create_multifile_cache |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/utils/filecache.py |
ULMBackend.open_for_writing |
3 |
0 |
0 |
100.00% |
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ULMBackend.read |
5 |
0 |
0 |
100.00% |
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ULMBackend.open_and_write |
3 |
0 |
0 |
100.00% |
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ULMBackend.write |
1 |
0 |
0 |
100.00% |
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ULMBackend.dump_cache |
1 |
0 |
0 |
100.00% |
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ULMBackend.create_multifile_cache |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/utils/filecache.py |
CacheLock.__init__ |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/utils/filecache.py |
CacheLock.save |
5 |
2 |
0 |
60.00% |
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_MultiFileCacheTemplate.__init__ |
2 |
0 |
0 |
100.00% |
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_MultiFileCacheTemplate._filename |
1 |
0 |
0 |
100.00% |
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_MultiFileCacheTemplate._glob |
1 |
0 |
0 |
100.00% |
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_MultiFileCacheTemplate.__iter__ |
5 |
1 |
0 |
80.00% |
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_MultiFileCacheTemplate.__len__ |
1 |
0 |
0 |
100.00% |
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_MultiFileCacheTemplate.lock |
10 |
0 |
0 |
100.00% |
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_MultiFileCacheTemplate.__setitem__ |
4 |
0 |
0 |
100.00% |
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_MultiFileCacheTemplate.__getitem__ |
7 |
0 |
0 |
100.00% |
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_MultiFileCacheTemplate.__delitem__ |
4 |
2 |
0 |
50.00% |
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_MultiFileCacheTemplate.combine |
5 |
0 |
0 |
100.00% |
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_MultiFileCacheTemplate.split |
1 |
0 |
0 |
100.00% |
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_MultiFileCacheTemplate.filecount |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/utils/filecache.py |
_MultiFileCacheTemplate.strip_empties |
4 |
1 |
0 |
75.00% |
| /builds/debichem-team/python-ase/ase/utils/filecache.py |
_CombinedCacheTemplate.__init__ |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/utils/filecache.py |
_CombinedCacheTemplate.filecount |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/utils/filecache.py |
_CombinedCacheTemplate._filename |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/utils/filecache.py |
_CombinedCacheTemplate.__len__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/utils/filecache.py |
_CombinedCacheTemplate.__iter__ |
1 |
0 |
0 |
100.00% |
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_CombinedCacheTemplate.__getitem__ |
1 |
0 |
0 |
100.00% |
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_CombinedCacheTemplate._dump |
5 |
0 |
0 |
100.00% |
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_CombinedCacheTemplate.dump_cache |
3 |
0 |
0 |
100.00% |
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_CombinedCacheTemplate.load |
4 |
0 |
0 |
100.00% |
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_CombinedCacheTemplate.clear |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/utils/filecache.py |
_CombinedCacheTemplate.combine |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/utils/filecache.py |
_CombinedCacheTemplate.split |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/utils/filecache.py |
get_json_cache |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/utils/filecache.py |
(no function) |
87 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/utils/forcecurve.py |
fit_raw |
38 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/utils/forcecurve.py |
ForceFit.plot |
14 |
14 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/utils/forcecurve.py |
fit_images |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/utils/forcecurve.py |
force_curve |
36 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/utils/forcecurve.py |
force_curve.total_displacement |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/utils/forcecurve.py |
plotfromfile |
8 |
8 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/utils/forcecurve.py |
(no function) |
13 |
3 |
0 |
76.92% |
| /builds/debichem-team/python-ase/ase/utils/linesearch.py |
LineSearch.__init__ |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/utils/linesearch.py |
LineSearch._line_search |
40 |
5 |
0 |
87.50% |
| /builds/debichem-team/python-ase/ase/utils/linesearch.py |
LineSearch.step |
79 |
15 |
0 |
81.01% |
| /builds/debichem-team/python-ase/ase/utils/linesearch.py |
LineSearch.update |
89 |
19 |
0 |
78.65% |
| /builds/debichem-team/python-ase/ase/utils/linesearch.py |
LineSearch.determine_step |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/utils/linesearch.py |
LineSearch.save |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/utils/linesearch.py |
(no function) |
10 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/utils/linesearcharmijo.py |
LinearPath.__init__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/utils/linesearcharmijo.py |
LinearPath.step |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/utils/linesearcharmijo.py |
nullspace |
5 |
5 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/utils/linesearcharmijo.py |
RumPath.__init__ |
28 |
28 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/utils/linesearcharmijo.py |
RumPath.step |
5 |
5 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/utils/linesearcharmijo.py |
LineSearchArmijo.__init__ |
7 |
3 |
0 |
57.14% |
| /builds/debichem-team/python-ase/ase/utils/linesearcharmijo.py |
LineSearchArmijo.run |
38 |
6 |
0 |
84.21% |
| /builds/debichem-team/python-ase/ase/utils/linesearcharmijo.py |
LineSearchArmijo.handle_args |
51 |
12 |
0 |
76.47% |
| /builds/debichem-team/python-ase/ase/utils/linesearcharmijo.py |
(no function) |
22 |
2 |
0 |
90.91% |
| /builds/debichem-team/python-ase/ase/utils/parsemath.py |
add |
3 |
1 |
0 |
66.67% |
| /builds/debichem-team/python-ase/ase/utils/parsemath.py |
sub |
3 |
1 |
0 |
66.67% |
| /builds/debichem-team/python-ase/ase/utils/parsemath.py |
mul |
5 |
1 |
0 |
80.00% |
| /builds/debichem-team/python-ase/ase/utils/parsemath.py |
div |
7 |
2 |
0 |
71.43% |
| /builds/debichem-team/python-ase/ase/utils/parsemath.py |
power |
5 |
1 |
0 |
80.00% |
| /builds/debichem-team/python-ase/ase/utils/parsemath.py |
exp |
3 |
1 |
0 |
66.67% |
| /builds/debichem-team/python-ase/ase/utils/parsemath.py |
get_function |
5 |
1 |
0 |
80.00% |
| /builds/debichem-team/python-ase/ase/utils/parsemath.py |
limit |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/utils/parsemath.py |
limit.decorator |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/utils/parsemath.py |
limit.decorator.wrapper |
10 |
3 |
0 |
70.00% |
| /builds/debichem-team/python-ase/ase/utils/parsemath.py |
_eval |
19 |
1 |
0 |
94.74% |
| /builds/debichem-team/python-ase/ase/utils/parsemath.py |
eval_expression |
10 |
2 |
0 |
80.00% |
| /builds/debichem-team/python-ase/ase/utils/parsemath.py |
(no function) |
18 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/utils/plotting.py |
SimplePlottingAxes.__init__ |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/utils/plotting.py |
SimplePlottingAxes.__enter__ |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/utils/plotting.py |
SimplePlottingAxes.__exit__ |
8 |
2 |
0 |
75.00% |
| /builds/debichem-team/python-ase/ase/utils/plotting.py |
(no function) |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/utils/plugins.py |
(no function) |
15 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/utils/ptable.py |
ptable |
22 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/utils/ptable.py |
(no function) |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/utils/structure_comparator.py |
normalize |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/utils/structure_comparator.py |
SpgLibNotFoundError.__init__ |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/utils/structure_comparator.py |
SymmetryEquivalenceCheck.__init__ |
12 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/utils/structure_comparator.py |
SymmetryEquivalenceCheck._niggli_reduce |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/utils/structure_comparator.py |
SymmetryEquivalenceCheck._standarize_cell |
48 |
5 |
0 |
89.58% |
| /builds/debichem-team/python-ase/ase/utils/structure_comparator.py |
SymmetryEquivalenceCheck._get_element_count |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/utils/structure_comparator.py |
SymmetryEquivalenceCheck._get_angles |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/utils/structure_comparator.py |
SymmetryEquivalenceCheck._has_same_elements |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/utils/structure_comparator.py |
SymmetryEquivalenceCheck._has_same_angles |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/utils/structure_comparator.py |
SymmetryEquivalenceCheck._has_same_volume |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/utils/structure_comparator.py |
SymmetryEquivalenceCheck._scale_volumes |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/utils/structure_comparator.py |
SymmetryEquivalenceCheck.compare |
55 |
4 |
0 |
92.73% |
| /builds/debichem-team/python-ase/ase/utils/structure_comparator.py |
SymmetryEquivalenceCheck._set_least_frequent_element |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/utils/structure_comparator.py |
SymmetryEquivalenceCheck._get_least_frequent_positions |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/utils/structure_comparator.py |
SymmetryEquivalenceCheck._get_only_least_frequent_of |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/utils/structure_comparator.py |
SymmetryEquivalenceCheck._switch_reference_struct |
15 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/utils/structure_comparator.py |
SymmetryEquivalenceCheck._positions_match |
12 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/utils/structure_comparator.py |
SymmetryEquivalenceCheck._expand |
18 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/utils/structure_comparator.py |
SymmetryEquivalenceCheck._equal_elements_in_array |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/utils/structure_comparator.py |
SymmetryEquivalenceCheck._elements_match |
12 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/utils/structure_comparator.py |
SymmetryEquivalenceCheck._least_frequent_element_to_origin |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/utils/structure_comparator.py |
SymmetryEquivalenceCheck._get_rotation_reflection_matrices |
39 |
2 |
0 |
94.87% |
| /builds/debichem-team/python-ase/ase/utils/structure_comparator.py |
SymmetryEquivalenceCheck._reduce_to_primitive |
10 |
2 |
0 |
80.00% |
| /builds/debichem-team/python-ase/ase/utils/structure_comparator.py |
(no function) |
31 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/utils/timing.py |
function_timer |
6 |
6 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/utils/timing.py |
Timer.__init__ |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/utils/timing.py |
Timer.print_info |
0 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/utils/timing.py |
Timer.start |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/utils/timing.py |
Timer.stop |
8 |
1 |
0 |
87.50% |
| /builds/debichem-team/python-ase/ase/utils/timing.py |
Timer.__call__ |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/utils/timing.py |
Timer.__enter__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/utils/timing.py |
Timer.__exit__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/utils/timing.py |
Timer.get_time |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/utils/timing.py |
Timer.write |
42 |
4 |
0 |
90.48% |
| /builds/debichem-team/python-ase/ase/utils/timing.py |
Timer.add |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/utils/timing.py |
timer.__init__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/utils/timing.py |
timer.__call__ |
13 |
2 |
0 |
84.62% |
| /builds/debichem-team/python-ase/ase/utils/timing.py |
timer.__call__.new_method |
9 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/utils/timing.py |
(no function) |
19 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/utils/xrdebye.py |
XrDebye.__init__ |
10 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/utils/xrdebye.py |
XrDebye.set_damping |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/utils/xrdebye.py |
XrDebye.get |
21 |
1 |
0 |
95.24% |
| /builds/debichem-team/python-ase/ase/utils/xrdebye.py |
XrDebye.get.atomic |
5 |
1 |
0 |
80.00% |
| /builds/debichem-team/python-ase/ase/utils/xrdebye.py |
XrDebye.get_waasmaier |
12 |
4 |
0 |
66.67% |
| /builds/debichem-team/python-ase/ase/utils/xrdebye.py |
XrDebye.calc_pattern |
29 |
6 |
0 |
79.31% |
| /builds/debichem-team/python-ase/ase/utils/xrdebye.py |
XrDebye.write_pattern |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/utils/xrdebye.py |
XrDebye._write_pattern |
10 |
1 |
0 |
90.00% |
| /builds/debichem-team/python-ase/ase/utils/xrdebye.py |
XrDebye.plot_pattern |
21 |
8 |
0 |
61.90% |
| /builds/debichem-team/python-ase/ase/utils/xrdebye.py |
(no function) |
14 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/__init__.py |
(no function) |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/albrecht.py |
Albrecht.__init__ |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/albrecht.py |
Albrecht.set_approximation |
7 |
2 |
0 |
71.43% |
| /builds/debichem-team/python-ase/ase/vibrations/albrecht.py |
Albrecht.calculate_energies_and_modes |
25 |
1 |
0 |
96.00% |
| /builds/debichem-team/python-ase/ase/vibrations/albrecht.py |
Albrecht.get_energies |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/albrecht.py |
Albrecht._collect_r |
7 |
5 |
0 |
28.57% |
| /builds/debichem-team/python-ase/ase/vibrations/albrecht.py |
Albrecht.Huang_Rhys_factors |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/albrecht.py |
Albrecht.unitless_displacements |
9 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/albrecht.py |
Albrecht.omegaLS |
3 |
3 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/vibrations/albrecht.py |
Albrecht.init_parallel_excitations |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/albrecht.py |
Albrecht.meA |
24 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/albrecht.py |
Albrecht.meAmult |
55 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/albrecht.py |
Albrecht.meBC |
38 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/albrecht.py |
Albrecht.electronic_me_Qcc |
16 |
1 |
0 |
93.75% |
| /builds/debichem-team/python-ase/ase/vibrations/albrecht.py |
Albrecht.me_Qcc |
23 |
12 |
0 |
47.83% |
| /builds/debichem-team/python-ase/ase/vibrations/albrecht.py |
Albrecht.summary |
22 |
4 |
0 |
81.82% |
| /builds/debichem-team/python-ase/ase/vibrations/albrecht.py |
Albrecht.extended_summary |
17 |
1 |
0 |
94.12% |
| /builds/debichem-team/python-ase/ase/vibrations/albrecht.py |
(no function) |
24 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/data.py |
VibrationsData.__init__ |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/data.py |
VibrationsData.from_2d |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/data.py |
VibrationsData.indices_from_constraints |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/data.py |
VibrationsData.indices_from_mask |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/data.py |
VibrationsData._check_dimensions |
9 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/data.py |
VibrationsData.get_atoms |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/data.py |
VibrationsData.get_indices |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/data.py |
VibrationsData.get_mask |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/data.py |
VibrationsData._mask_from_indices |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/data.py |
VibrationsData.get_hessian |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/data.py |
VibrationsData.get_hessian_2d |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/data.py |
VibrationsData.todict |
4 |
1 |
0 |
75.00% |
| /builds/debichem-team/python-ase/ase/vibrations/data.py |
VibrationsData.fromdict |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/data.py |
VibrationsData._energies_and_modes |
12 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/data.py |
VibrationsData.get_energies_and_modes |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/data.py |
VibrationsData.get_modes |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/data.py |
VibrationsData.get_energies |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/data.py |
VibrationsData.get_frequencies |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/data.py |
VibrationsData.get_zero_point_energy |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/data.py |
VibrationsData._calculate_zero_point_energy |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/data.py |
VibrationsData.tabulate |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/data.py |
VibrationsData._tabulate_from_energies |
11 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/data.py |
VibrationsData.iter_animated_mode |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/data.py |
VibrationsData.show_as_force |
6 |
1 |
0 |
83.33% |
| /builds/debichem-team/python-ase/ase/vibrations/data.py |
VibrationsData.write_jmol |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/data.py |
VibrationsData._get_jmol_images |
12 |
1 |
0 |
91.67% |
| /builds/debichem-team/python-ase/ase/vibrations/data.py |
VibrationsData.get_dos |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/data.py |
VibrationsData.get_pdos |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/data.py |
VibrationsData.with_new_masses |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/data.py |
(no function) |
58 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/franck_condon.py |
Factorial.__init__ |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/franck_condon.py |
Factorial.__call__ |
10 |
2 |
0 |
80.00% |
| /builds/debichem-team/python-ase/ase/vibrations/franck_condon.py |
Factorial.inv |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/franck_condon.py |
FranckCondonOverlap.__init__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/franck_condon.py |
FranckCondonOverlap.directT0 |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/franck_condon.py |
FranckCondonOverlap.direct |
11 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/franck_condon.py |
FranckCondonOverlap.direct0mm1 |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/franck_condon.py |
FranckCondonOverlap.direct0mm2 |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/franck_condon.py |
FranckCondonRecursive.__init__ |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/franck_condon.py |
FranckCondonRecursive.ov0m |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/franck_condon.py |
FranckCondonRecursive.ov1m |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/franck_condon.py |
FranckCondonRecursive.ov2m |
5 |
1 |
0 |
80.00% |
| /builds/debichem-team/python-ase/ase/vibrations/franck_condon.py |
FranckCondonRecursive.ov3m |
5 |
1 |
0 |
80.00% |
| /builds/debichem-team/python-ase/ase/vibrations/franck_condon.py |
FranckCondonRecursive.ov0mm1 |
3 |
1 |
0 |
66.67% |
| /builds/debichem-team/python-ase/ase/vibrations/franck_condon.py |
FranckCondonRecursive.direct0mm1 |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/franck_condon.py |
FranckCondonRecursive.ov0mm2 |
5 |
2 |
0 |
60.00% |
| /builds/debichem-team/python-ase/ase/vibrations/franck_condon.py |
FranckCondonRecursive.direct0mm2 |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/franck_condon.py |
FranckCondonRecursive.ov1mm2 |
12 |
2 |
0 |
83.33% |
| /builds/debichem-team/python-ase/ase/vibrations/franck_condon.py |
FranckCondonRecursive.direct1mm2 |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/franck_condon.py |
FranckCondonRecursive.direct0mm3 |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/franck_condon.py |
FranckCondon.__init__ |
10 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/franck_condon.py |
FranckCondon.get_Huang_Rhys_factors |
15 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/franck_condon.py |
FranckCondon.get_Franck_Condon_factors |
83 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/franck_condon.py |
(no function) |
34 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/infrared.py |
Infrared.__init__ |
7 |
2 |
0 |
71.43% |
| /builds/debichem-team/python-ase/ase/vibrations/infrared.py |
Infrared.read |
59 |
16 |
0 |
72.88% |
| /builds/debichem-team/python-ase/ase/vibrations/infrared.py |
Infrared.intensity_prefactor |
5 |
5 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/vibrations/infrared.py |
Infrared.summary |
26 |
26 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/vibrations/infrared.py |
Infrared.get_spectrum |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/infrared.py |
Infrared.write_spectra |
14 |
14 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/vibrations/infrared.py |
(no function) |
13 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/pickle2json.py |
port |
17 |
5 |
0 |
70.59% |
| /builds/debichem-team/python-ase/ase/vibrations/pickle2json.py |
main |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/pickle2json.py |
(no function) |
10 |
1 |
0 |
90.00% |
| /builds/debichem-team/python-ase/ase/vibrations/placzek.py |
Placzek.__init__ |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/placzek.py |
Placzek.set_approximation |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/vibrations/placzek.py |
Placzek._signed_disps |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/placzek.py |
Placzek._read_exobjs |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/placzek.py |
Placzek.read_excitations |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/placzek.py |
Placzek.electronic_me_Qcc |
11 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/placzek.py |
PlaczekStatic.read_excitations |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/placzek.py |
PlaczekStatic.electronic_me_Qcc |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/placzek.py |
Profeta.__init__ |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/placzek.py |
Profeta.set_approximation |
4 |
1 |
0 |
75.00% |
| /builds/debichem-team/python-ase/ase/vibrations/placzek.py |
Profeta.electronic_me_profeta_rcc |
14 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/placzek.py |
Profeta.electronic_me_profeta_rcc.kappa_cc |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/placzek.py |
Profeta.electronic_me_Qcc |
11 |
1 |
0 |
90.91% |
| /builds/debichem-team/python-ase/ase/vibrations/placzek.py |
(no function) |
22 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/raman.py |
RamanCalculatorBase.__init__ |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/raman.py |
StaticRamanCalculatorBase.__init__ |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/raman.py |
StaticRamanCalculatorBase._new_exobj |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/raman.py |
StaticRamanCalculatorBase.calculate |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/raman.py |
RamanBase.__init__ |
9 |
1 |
0 |
88.89% |
| /builds/debichem-team/python-ase/ase/vibrations/raman.py |
RamanData.__init__ |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/raman.py |
RamanData.get_energies |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/raman.py |
RamanData.init_parallel_read |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/raman.py |
RamanData.read |
6 |
1 |
0 |
83.33% |
| /builds/debichem-team/python-ase/ase/vibrations/raman.py |
RamanData.m2 |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/raman.py |
RamanData.map_to_modes |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/raman.py |
RamanData.me_Qcc |
3 |
3 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/vibrations/raman.py |
RamanData.get_absolute_intensities |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/raman.py |
RamanData.intensity |
18 |
11 |
0 |
38.89% |
| /builds/debichem-team/python-ase/ase/vibrations/raman.py |
RamanData._invariants |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/raman.py |
RamanData.summary |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/raman.py |
RamanData._summary |
21 |
3 |
0 |
85.71% |
| /builds/debichem-team/python-ase/ase/vibrations/raman.py |
Raman.__init__ |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/raman.py |
Raman.calculate_energies_and_modes |
10 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/raman.py |
RamanPhonons.__init__ |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/raman.py |
RamanPhonons.kpts |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/raman.py |
RamanPhonons.kpts |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/raman.py |
RamanPhonons.calculate_energies_and_modes |
14 |
1 |
0 |
92.86% |
| /builds/debichem-team/python-ase/ase/vibrations/raman.py |
(no function) |
43 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/resonant_raman.py |
ResonantRamanCalculator.__init__ |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/resonant_raman.py |
ResonantRamanCalculator._new_exobj |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/resonant_raman.py |
ResonantRamanCalculator.calculate |
9 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/resonant_raman.py |
ResonantRamanCalculator.run |
12 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/resonant_raman.py |
ResonantRaman.__init__ |
16 |
1 |
0 |
93.75% |
| /builds/debichem-team/python-ase/ase/vibrations/resonant_raman.py |
ResonantRaman.read_exobj |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/resonant_raman.py |
ResonantRaman.get_absolute_intensities |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/resonant_raman.py |
ResonantRaman.approximation |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/resonant_raman.py |
ResonantRaman.approximation |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/resonant_raman.py |
ResonantRaman.read_excitations |
43 |
1 |
0 |
97.67% |
| /builds/debichem-team/python-ase/ase/vibrations/resonant_raman.py |
ResonantRaman.read_excitations.append |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/resonant_raman.py |
ResonantRaman.read_excitations.select |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/resonant_raman.py |
ResonantRaman.read_excitations_overlap |
37 |
2 |
0 |
94.59% |
| /builds/debichem-team/python-ase/ase/vibrations/resonant_raman.py |
ResonantRaman.read_excitations_overlap.load |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/resonant_raman.py |
ResonantRaman.read_excitations_overlap.rotate |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/resonant_raman.py |
ResonantRaman.read |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/resonant_raman.py |
ResonantRaman.get_cross_sections |
4 |
4 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/vibrations/resonant_raman.py |
ResonantRaman.get_spectrum |
28 |
28 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/vibrations/resonant_raman.py |
ResonantRaman.write_spectrum |
16 |
16 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/vibrations/resonant_raman.py |
ResonantRaman.summary |
29 |
5 |
0 |
82.76% |
| /builds/debichem-team/python-ase/ase/vibrations/resonant_raman.py |
LrResonantRaman.read_excitations |
44 |
44 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/vibrations/resonant_raman.py |
LrResonantRaman.read_excitations.append |
4 |
4 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/vibrations/resonant_raman.py |
LrResonantRaman.read_excitations.select |
3 |
3 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/vibrations/resonant_raman.py |
(no function) |
29 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/vibrations.py |
AtomicDisplacements._disp |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/vibrations.py |
AtomicDisplacements._eq_disp |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/vibrations.py |
AtomicDisplacements.ndof |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/vibrations.py |
Displacement.name |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/vibrations.py |
Displacement._cached |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/vibrations.py |
Displacement.forces |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/vibrations.py |
Displacement.step |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/vibrations.py |
Displacement.dipole |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/vibrations.py |
Displacement.save_ov_nn |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/vibrations.py |
Displacement.load_ov_nn |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/vibrations.py |
Displacement._exname |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/vibrations.py |
Displacement.calculate_and_save_static_polarizability |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/vibrations.py |
Displacement.load_static_polarizability |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/vibrations.py |
Displacement.read_exobj |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/vibrations.py |
Displacement.calculate_and_save_exlist |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/vibrations.py |
Vibrations.__init__ |
19 |
1 |
0 |
94.74% |
| /builds/debichem-team/python-ase/ase/vibrations/vibrations.py |
Vibrations.name |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/vibrations.py |
Vibrations.run |
10 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/vibrations.py |
Vibrations._check_old_pickles |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/vibrations.py |
Vibrations.iterdisplace |
13 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/vibrations.py |
Vibrations.iterimages |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/vibrations.py |
Vibrations._iter_ai |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/vibrations.py |
Vibrations.displacements |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/vibrations.py |
Vibrations.calculate |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/vibrations.py |
Vibrations.clean |
7 |
1 |
0 |
85.71% |
| /builds/debichem-team/python-ase/ase/vibrations/vibrations.py |
Vibrations.combine |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/vibrations.py |
Vibrations.split |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/vibrations.py |
Vibrations.read |
46 |
8 |
0 |
82.61% |
| /builds/debichem-team/python-ase/ase/vibrations/vibrations.py |
Vibrations.get_vibrations |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/vibrations.py |
Vibrations.get_energies |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/vibrations.py |
Vibrations.get_frequencies |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/vibrations.py |
Vibrations.summary |
9 |
3 |
0 |
66.67% |
| /builds/debichem-team/python-ase/ase/vibrations/vibrations.py |
Vibrations.get_zero_point_energy |
3 |
1 |
0 |
66.67% |
| /builds/debichem-team/python-ase/ase/vibrations/vibrations.py |
Vibrations.get_mode |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/vibrations.py |
Vibrations.write_mode |
9 |
4 |
0 |
55.56% |
| /builds/debichem-team/python-ase/ase/vibrations/vibrations.py |
Vibrations.show_as_force |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/vibrations.py |
Vibrations.write_jmol |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/vibrations.py |
Vibrations._write_jmol |
16 |
1 |
0 |
93.75% |
| /builds/debichem-team/python-ase/ase/vibrations/vibrations.py |
Vibrations.fold |
20 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/vibrations.py |
Vibrations.write_dos |
11 |
11 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/vibrations/vibrations.py |
(no function) |
62 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/visualize/__init__.py |
view |
10 |
4 |
0 |
60.00% |
| /builds/debichem-team/python-ase/ase/visualize/__init__.py |
(no function) |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/visualize/mlab.py |
plot |
23 |
23 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/visualize/mlab.py |
view_mlab |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/visualize/mlab.py |
main |
40 |
40 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/visualize/mlab.py |
(no function) |
12 |
1 |
0 |
91.67% |
| /builds/debichem-team/python-ase/ase/visualize/ngl.py |
NGLDisplay.__init__ |
33 |
33 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/visualize/ngl.py |
NGLDisplay._update_repr |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/visualize/ngl.py |
NGLDisplay._update_frame |
2 |
2 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/visualize/ngl.py |
NGLDisplay._select_atom |
8 |
8 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/visualize/ngl.py |
NGLDisplay.custom_colors |
4 |
4 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/visualize/ngl.py |
view_ngl |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/visualize/ngl.py |
(no function) |
8 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/visualize/paraview_script.py |
main |
16 |
16 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/visualize/paraview_script.py |
(no function) |
3 |
1 |
0 |
66.67% |
| /builds/debichem-team/python-ase/ase/visualize/plot.py |
Matplotlib.__init__ |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/visualize/plot.py |
Matplotlib.write |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/visualize/plot.py |
Matplotlib.write_body |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/visualize/plot.py |
animate |
8 |
1 |
0 |
87.50% |
| /builds/debichem-team/python-ase/ase/visualize/plot.py |
animate.drawimage |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/visualize/plot.py |
plot_atoms |
8 |
3 |
0 |
62.50% |
| /builds/debichem-team/python-ase/ase/visualize/plot.py |
(no function) |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/visualize/sage.py |
view_sage_jmol |
14 |
14 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/visualize/sage.py |
(no function) |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/visualize/viewers.py |
AbstractViewer.view |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/visualize/viewers.py |
PyViewer.__init__ |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/visualize/viewers.py |
PyViewer._viewfunc |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/visualize/viewers.py |
PyViewer.module |
4 |
4 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/visualize/viewers.py |
PyViewer.view |
1 |
1 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/visualize/viewers.py |
CLIViewer.__init__ |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/visualize/viewers.py |
CLIViewer.ioformat |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/visualize/viewers.py |
CLIViewer.mktemp |
12 |
1 |
0 |
91.67% |
| /builds/debichem-team/python-ase/ase/visualize/viewers.py |
CLIViewer.view_blocking |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/visualize/viewers.py |
CLIViewer.view |
6 |
1 |
0 |
83.33% |
| /builds/debichem-team/python-ase/ase/visualize/viewers.py |
_pipe_to_ase_gui |
9 |
1 |
0 |
88.89% |
| /builds/debichem-team/python-ase/ase/visualize/viewers.py |
define_viewer |
12 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/visualize/viewers.py |
define_external_viewer |
6 |
6 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/visualize/viewers.py |
register_external_viewer_formats |
8 |
5 |
0 |
37.50% |
| /builds/debichem-team/python-ase/ase/visualize/viewers.py |
cli_main |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/visualize/viewers.py |
(no function) |
52 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/visualize/x3d.py |
view_x3d |
11 |
11 |
0 |
0.00% |
| /builds/debichem-team/python-ase/ase/visualize/x3d.py |
(no function) |
7 |
0 |
0 |
100.00% |