Coverage for /builds/debichem-team/python-ase/ase/gui/widgets.py : 77.42%
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1from ase.gui.i18n import _
3import ase.data
4import ase.gui.ui as ui
6from ase import Atoms
9class Element(list):
10 def __init__(self, symbol='', callback=None):
11 list.__init__(self,
12 [_('Element:'),
13 ui.Entry(symbol, 3, self.enter),
14 ui.Button(_('Help'), self.show_help),
15 ui.Label('', 'red')])
16 self.callback = callback
18 @property
19 def z_entry(self):
20 return self[1]
22 def grab_focus(self):
23 self.z_entry.entry.focus_set()
25 def show_help(self):
26 msg = _('Enter a chemical symbol or the atomic number.')
27 # Title of a popup window
28 ui.showinfo(_('Info'), msg)
30 @property
31 def Z(self):
32 atoms = self.get_atoms()
33 if atoms is None:
34 return None
35 assert len(atoms) == 1
36 return atoms.numbers[0]
38 @property
39 def symbol(self):
40 Z = self.Z
41 return None if Z is None else ase.data.chemical_symbols[Z]
43 # Used by tests...
44 @symbol.setter
45 def symbol(self, value):
46 self.z_entry.value = value
48 def get_atoms(self):
49 val = self._get()
50 if val is not None:
51 self[2].text = ''
52 return val
54 def _get(self):
55 txt = self.z_entry.value
57 if not txt:
58 self.error(_('No element specified!'))
59 return None
61 if txt.isdigit():
62 txt = int(txt)
63 try:
64 txt = ase.data.chemical_symbols[txt]
65 except KeyError:
66 self.error()
67 return None
69 if txt in ase.data.atomic_numbers:
70 return Atoms(txt)
72 self.error()
74 def enter(self):
75 self.callback(self)
77 def error(self, text=_('ERROR: Invalid element!')):
78 self[2].text = text
81def pybutton(title, callback):
82 """A button for displaying Python code.
84 When pressed, it opens a window displaying some Python code, or an error
85 message if no Python code is ready.
86 """
87 return ui.Button('Python', pywindow, title, callback)
90def pywindow(title, callback):
91 code = callback()
92 if code is None:
93 ui.error(
94 _('No Python code'),
95 _('You have not (yet) specified a consistent set of parameters.'))
96 else:
97 win = ui.Window(title)
98 win.add(ui.Text(code))