Coverage report: 77.03%

Files Functions Classes

coverage.py v7.5.3, created at 2025-03-06 04:00 +0000

File class statements missing excluded coverage
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/builds/debichem-team/python-ase/ase/phonons.py Phonons 197 50 0 74.62%
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/builds/debichem-team/python-ase/ase/pourbaix.py Pourbaix 95 6 0 93.68%
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/builds/debichem-team/python-ase/ase/quaternions.py Quaternions 12 12 0 0.00%
/builds/debichem-team/python-ase/ase/quaternions.py Quaternion 106 20 0 81.13%
/builds/debichem-team/python-ase/ase/quaternions.py (no class) 26 0 0 100.00%
/builds/debichem-team/python-ase/ase/spacegroup/__init__.py (no class) 5 0 0 100.00%
/builds/debichem-team/python-ase/ase/spacegroup/crystal_data.py (no class) 14 0 0 100.00%
/builds/debichem-team/python-ase/ase/spacegroup/spacegroup.py SpacegroupError 0 0 0 100.00%
/builds/debichem-team/python-ase/ase/spacegroup/spacegroup.py SpacegroupNotFoundError 0 0 0 100.00%
/builds/debichem-team/python-ase/ase/spacegroup/spacegroup.py SpacegroupValueError 0 0 0 100.00%
/builds/debichem-team/python-ase/ase/spacegroup/spacegroup.py Spacegroup 205 15 0 92.68%
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/builds/debichem-team/python-ase/ase/spacegroup/symmetrize.py IntermediateDatasetError 0 0 0 100.00%
/builds/debichem-team/python-ase/ase/spacegroup/symmetrize.py (no class) 27 0 0 100.00%
/builds/debichem-team/python-ase/ase/spacegroup/utils.py (no class) 11 0 0 100.00%
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/builds/debichem-team/python-ase/ase/spectrum/__init__.py (no class) 0 0 0 100.00%
/builds/debichem-team/python-ase/ase/spectrum/band_structure.py BandStructurePlot 91 19 0 79.12%
/builds/debichem-team/python-ase/ase/spectrum/band_structure.py BandStructure 15 0 0 100.00%
/builds/debichem-team/python-ase/ase/spectrum/band_structure.py (no class) 25 0 0 100.00%
/builds/debichem-team/python-ase/ase/spectrum/doscollection.py DOSCollection 57 2 0 96.49%
/builds/debichem-team/python-ase/ase/spectrum/doscollection.py RawDOSCollection 4 0 0 100.00%
/builds/debichem-team/python-ase/ase/spectrum/doscollection.py GridDOSCollection 63 2 0 96.83%
/builds/debichem-team/python-ase/ase/spectrum/doscollection.py (no class) 55 0 0 100.00%
/builds/debichem-team/python-ase/ase/spectrum/dosdata.py DOSData 43 0 0 100.00%
/builds/debichem-team/python-ase/ase/spectrum/dosdata.py GeneralDOSData 10 0 0 100.00%
/builds/debichem-team/python-ase/ase/spectrum/dosdata.py RawDOSData 12 0 0 100.00%
/builds/debichem-team/python-ase/ase/spectrum/dosdata.py GridDOSData 44 0 0 100.00%
/builds/debichem-team/python-ase/ase/spectrum/dosdata.py (no class) 43 0 0 100.00%
/builds/debichem-team/python-ase/ase/stress.py (no class) 8 0 0 100.00%
/builds/debichem-team/python-ase/ase/symbols.py Symbols 65 4 0 93.85%
/builds/debichem-team/python-ase/ase/symbols.py (no class) 28 0 0 100.00%
/builds/debichem-team/python-ase/ase/thermochemistry.py ThermoChem 15 0 0 100.00%
/builds/debichem-team/python-ase/ase/thermochemistry.py HarmonicThermo 53 0 0 100.00%
/builds/debichem-team/python-ase/ase/thermochemistry.py HinderedThermo 112 5 0 95.54%
/builds/debichem-team/python-ase/ase/thermochemistry.py IdealGasThermo 113 7 0 93.81%
/builds/debichem-team/python-ase/ase/thermochemistry.py CrystalThermo 79 12 0 84.81%
/builds/debichem-team/python-ase/ase/thermochemistry.py (no class) 32 0 0 100.00%
/builds/debichem-team/python-ase/ase/transport/__init__.py (no class) 2 0 0 100.00%
/builds/debichem-team/python-ase/ase/transport/calculators.py TransportCalculator 242 106 0 56.20%
/builds/debichem-team/python-ase/ase/transport/calculators.py TransportCalculator.set.Trash 2 0 0 100.00%
/builds/debichem-team/python-ase/ase/transport/calculators.py (no class) 22 0 0 100.00%
/builds/debichem-team/python-ase/ase/transport/greenfunction.py GreenFunction 32 7 0 78.12%
/builds/debichem-team/python-ase/ase/transport/greenfunction.py (no class) 8 0 0 100.00%
/builds/debichem-team/python-ase/ase/transport/selfenergy.py LeadSelfEnergy 36 1 0 97.22%
/builds/debichem-team/python-ase/ase/transport/selfenergy.py BoxProbe 9 9 0 0.00%
/builds/debichem-team/python-ase/ase/transport/selfenergy.py (no class) 11 0 0 100.00%
/builds/debichem-team/python-ase/ase/transport/stm.py STM 99 99 0 0.00%
/builds/debichem-team/python-ase/ase/transport/stm.py (no class) 11 0 0 100.00%
/builds/debichem-team/python-ase/ase/transport/tools.py (no class) 8 0 0 100.00%
/builds/debichem-team/python-ase/ase/units.py Units 2 0 0 100.00%
/builds/debichem-team/python-ase/ase/units.py (no class) 8 0 0 100.00%
/builds/debichem-team/python-ase/ase/utils/__init__.py DevNull 7 6 0 14.29%
/builds/debichem-team/python-ase/ase/utils/__init__.py Lock 24 0 0 100.00%
/builds/debichem-team/python-ase/ase/utils/__init__.py OpenLock 4 4 0 0.00%
/builds/debichem-team/python-ase/ase/utils/__init__.py iofunction 13 0 0 100.00%
/builds/debichem-team/python-ase/ase/utils/__init__.py ExperimentalFeatureWarning 0 0 0 100.00%
/builds/debichem-team/python-ase/ase/utils/__init__.py IOContext 13 0 0 100.00%
/builds/debichem-team/python-ase/ase/utils/__init__.py (no class) 100 0 0 100.00%
/builds/debichem-team/python-ase/ase/utils/abc.py Optimizable 8 5 0 37.50%
/builds/debichem-team/python-ase/ase/utils/abc.py (no class) 17 0 0 100.00%
/builds/debichem-team/python-ase/ase/utils/arraywrapper.py (no class) 10 0 0 100.00%
/builds/debichem-team/python-ase/ase/utils/cext.py (no class) 6 0 0 100.00%
/builds/debichem-team/python-ase/ase/utils/checkimports.py (no class) 19 9 0 52.63%
/builds/debichem-team/python-ase/ase/utils/cube.py (no class) 3 0 0 100.00%
/builds/debichem-team/python-ase/ase/utils/deltacodesdft.py (no class) 3 0 0 100.00%
/builds/debichem-team/python-ase/ase/utils/ff.py Morse 6 0 0 100.00%
/builds/debichem-team/python-ase/ase/utils/ff.py Bond 7 0 0 100.00%
/builds/debichem-team/python-ase/ase/utils/ff.py Angle 9 0 0 100.00%
/builds/debichem-team/python-ase/ase/utils/ff.py Dihedral 10 0 0 100.00%
/builds/debichem-team/python-ase/ase/utils/ff.py VdW 22 7 0 68.18%
/builds/debichem-team/python-ase/ase/utils/ff.py Coulomb 8 8 0 0.00%
/builds/debichem-team/python-ase/ase/utils/ff.py (no class) 45 0 0 100.00%
/builds/debichem-team/python-ase/ase/utils/filecache.py Locked 0 0 0 100.00%
/builds/debichem-team/python-ase/ase/utils/filecache.py JSONBackend 7 0 0 100.00%
/builds/debichem-team/python-ase/ase/utils/filecache.py ULMBackend 14 1 0 92.86%
/builds/debichem-team/python-ase/ase/utils/filecache.py CacheLock 8 2 0 75.00%
/builds/debichem-team/python-ase/ase/utils/filecache.py _MultiFileCacheTemplate 46 4 0 91.30%
/builds/debichem-team/python-ase/ase/utils/filecache.py _CombinedCacheTemplate 29 1 0 96.55%
/builds/debichem-team/python-ase/ase/utils/filecache.py MultiFileJSONCache 0 0 0 100.00%
/builds/debichem-team/python-ase/ase/utils/filecache.py MultiFileULMCache 0 0 0 100.00%
/builds/debichem-team/python-ase/ase/utils/filecache.py CombinedJSONCache 0 0 0 100.00%
/builds/debichem-team/python-ase/ase/utils/filecache.py CombinedULMCache 0 0 0 100.00%
/builds/debichem-team/python-ase/ase/utils/filecache.py (no class) 87 0 0 100.00%
/builds/debichem-team/python-ase/ase/utils/forcecurve.py ForceFit 14 14 0 0.00%
/builds/debichem-team/python-ase/ase/utils/forcecurve.py (no class) 13 3 0 76.92%
/builds/debichem-team/python-ase/ase/utils/linesearch.py LineSearch 229 39 0 82.97%
/builds/debichem-team/python-ase/ase/utils/linesearch.py (no class) 10 0 0 100.00%
/builds/debichem-team/python-ase/ase/utils/linesearcharmijo.py LinearPath 2 0 0 100.00%
/builds/debichem-team/python-ase/ase/utils/linesearcharmijo.py RumPath 33 33 0 0.00%
/builds/debichem-team/python-ase/ase/utils/linesearcharmijo.py LineSearchArmijo 96 21 0 78.12%
/builds/debichem-team/python-ase/ase/utils/linesearcharmijo.py (no class) 22 2 0 90.91%
/builds/debichem-team/python-ase/ase/utils/parsemath.py (no class) 18 0 0 100.00%
/builds/debichem-team/python-ase/ase/utils/plotting.py SimplePlottingAxes 16 2 0 87.50%
/builds/debichem-team/python-ase/ase/utils/plotting.py (no class) 8 0 0 100.00%
/builds/debichem-team/python-ase/ase/utils/plugins.py ExternalIOFormat 0 0 0 100.00%
/builds/debichem-team/python-ase/ase/utils/plugins.py ExternalViewer 0 0 0 100.00%
/builds/debichem-team/python-ase/ase/utils/plugins.py (no class) 15 0 0 100.00%
/builds/debichem-team/python-ase/ase/utils/ptable.py (no class) 3 0 0 100.00%
/builds/debichem-team/python-ase/ase/utils/structure_comparator.py SpgLibNotFoundError 1 1 0 0.00%
/builds/debichem-team/python-ase/ase/utils/structure_comparator.py SymmetryEquivalenceCheck 259 13 0 94.98%
/builds/debichem-team/python-ase/ase/utils/structure_comparator.py (no class) 31 0 0 100.00%
/builds/debichem-team/python-ase/ase/utils/timing.py Timer 64 8 0 87.50%
/builds/debichem-team/python-ase/ase/utils/timing.py timer 23 2 0 91.30%
/builds/debichem-team/python-ase/ase/utils/timing.py (no class) 19 0 0 100.00%
/builds/debichem-team/python-ase/ase/utils/xrdebye.py XrDebye 111 22 0 80.18%
/builds/debichem-team/python-ase/ase/utils/xrdebye.py (no class) 14 0 0 100.00%
/builds/debichem-team/python-ase/ase/vibrations/__init__.py (no class) 4 0 0 100.00%
/builds/debichem-team/python-ase/ase/vibrations/albrecht.py Albrecht 261 29 0 88.89%
/builds/debichem-team/python-ase/ase/vibrations/albrecht.py (no class) 24 0 0 100.00%
/builds/debichem-team/python-ase/ase/vibrations/data.py VibrationsData 122 3 0 97.54%
/builds/debichem-team/python-ase/ase/vibrations/data.py (no class) 58 0 0 100.00%
/builds/debichem-team/python-ase/ase/vibrations/franck_condon.py Factorial 14 2 0 85.71%
/builds/debichem-team/python-ase/ase/vibrations/franck_condon.py FranckCondonOverlap 23 0 0 100.00%
/builds/debichem-team/python-ase/ase/vibrations/franck_condon.py FranckCondonRecursive 63 7 0 88.89%
/builds/debichem-team/python-ase/ase/vibrations/franck_condon.py FranckCondon 108 0 0 100.00%
/builds/debichem-team/python-ase/ase/vibrations/franck_condon.py (no class) 34 0 0 100.00%
/builds/debichem-team/python-ase/ase/vibrations/infrared.py Infrared 114 63 0 44.74%
/builds/debichem-team/python-ase/ase/vibrations/infrared.py (no class) 13 0 0 100.00%
/builds/debichem-team/python-ase/ase/vibrations/pickle2json.py (no class) 10 1 0 90.00%
/builds/debichem-team/python-ase/ase/vibrations/placzek.py Placzek 20 1 0 95.00%
/builds/debichem-team/python-ase/ase/vibrations/placzek.py PlaczekStatic 15 0 0 100.00%
/builds/debichem-team/python-ase/ase/vibrations/placzek.py PlaczekStaticPhonons 0 0 0 100.00%
/builds/debichem-team/python-ase/ase/vibrations/placzek.py Profeta 39 2 0 94.87%
/builds/debichem-team/python-ase/ase/vibrations/placzek.py (no class) 22 0 0 100.00%
/builds/debichem-team/python-ase/ase/vibrations/raman.py RamanCalculatorBase 7 0 0 100.00%
/builds/debichem-team/python-ase/ase/vibrations/raman.py StaticRamanCalculatorBase 9 0 0 100.00%
/builds/debichem-team/python-ase/ase/vibrations/raman.py StaticRamanCalculator 0 0 0 100.00%
/builds/debichem-team/python-ase/ase/vibrations/raman.py StaticRamanPhononsCalculator 0 0 0 100.00%
/builds/debichem-team/python-ase/ase/vibrations/raman.py RamanBase 9 1 0 88.89%
/builds/debichem-team/python-ase/ase/vibrations/raman.py RamanData 77 18 0 76.62%
/builds/debichem-team/python-ase/ase/vibrations/raman.py Raman 17 0 0 100.00%
/builds/debichem-team/python-ase/ase/vibrations/raman.py RamanPhonons 28 1 0 96.43%
/builds/debichem-team/python-ase/ase/vibrations/raman.py (no class) 43 0 0 100.00%
/builds/debichem-team/python-ase/ase/vibrations/resonant_raman.py ResonantRamanCalculator 28 0 0 100.00%
/builds/debichem-team/python-ase/ase/vibrations/resonant_raman.py ResonantRaman 203 57 0 71.92%
/builds/debichem-team/python-ase/ase/vibrations/resonant_raman.py LrResonantRaman 51 51 0 0.00%
/builds/debichem-team/python-ase/ase/vibrations/resonant_raman.py (no class) 29 0 0 100.00%
/builds/debichem-team/python-ase/ase/vibrations/vibrations.py AtomicDisplacements 5 0 0 100.00%
/builds/debichem-team/python-ase/ase/vibrations/vibrations.py Displacement 20 0 0 100.00%
/builds/debichem-team/python-ase/ase/vibrations/vibrations.py Vibrations 201 30 0 85.07%
/builds/debichem-team/python-ase/ase/vibrations/vibrations.py (no class) 62 0 0 100.00%
/builds/debichem-team/python-ase/ase/visualize/__init__.py (no class) 2 0 0 100.00%
/builds/debichem-team/python-ase/ase/visualize/mlab.py (no class) 12 1 0 91.67%
/builds/debichem-team/python-ase/ase/visualize/ngl.py NGLDisplay 48 48 0 0.00%
/builds/debichem-team/python-ase/ase/visualize/ngl.py (no class) 8 0 0 100.00%
/builds/debichem-team/python-ase/ase/visualize/paraview_script.py (no class) 3 1 0 66.67%
/builds/debichem-team/python-ase/ase/visualize/plot.py Matplotlib 10 0 0 100.00%
/builds/debichem-team/python-ase/ase/visualize/plot.py (no class) 7 0 0 100.00%
/builds/debichem-team/python-ase/ase/visualize/sage.py (no class) 4 0 0 100.00%
/builds/debichem-team/python-ase/ase/visualize/viewers.py UnknownViewerError 0 0 0 100.00%
/builds/debichem-team/python-ase/ase/visualize/viewers.py AbstractViewer 1 1 0 0.00%
/builds/debichem-team/python-ase/ase/visualize/viewers.py PyViewer 9 6 0 33.33%
/builds/debichem-team/python-ase/ase/visualize/viewers.py CLIViewer 24 2 0 91.67%
/builds/debichem-team/python-ase/ase/visualize/viewers.py (no class) 52 0 0 100.00%
/builds/debichem-team/python-ase/ase/visualize/x3d.py (no class) 7 0 0 100.00%
Total   47316 10868 0 77.03%

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