1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
|
import ase.gui.ui as ui
from ase.gui.i18n import _
class Settings:
def __init__(self, gui):
self.gui = gui
win = ui.Window(_('Settings'), wmtype='utility')
# Constraints
win.add(_('Constraints:'))
win.add([ui.Button(_('Fix'), self.constrain_selected),
'/',
ui.Button(_('release'), self.release_selected),
_(' selected atoms')])
win.add(ui.Button(_('Clear all constraints'), self.clear_constraints))
# Visibility
win.add(_('Visibility:'))
win.add([ui.Button(_('Hide'), self.hide_selected),
'/',
ui.Button(_('show'), self.show_selected),
_(' selected atoms')])
win.add(ui.Button(_('View all atoms'), self.view_all))
# Miscellaneous
win.add(_('Miscellaneous:'))
self.scale = ui.SpinBox(self.gui.images.atom_scale,
0.2, 2.0, 0.1, self.scale_radii)
win.add([_('Scale atomic radii:'), self.scale])
self.force_vector_scale = ui.SpinBox(
self.gui.force_vector_scale,
0.0, 1e32, 0.1,
rounding=2,
callback=self.scale_force_vectors
)
win.add([_('Scale force vectors:'), self.force_vector_scale])
self.velocity_vector_scale = ui.SpinBox(
self.gui.velocity_vector_scale,
0.0, 1e32, 0.1,
rounding=2,
callback=self.scale_velocity_vectors
)
win.add([_('Scale velocity vectors:'), self.velocity_vector_scale])
def scale_radii(self):
self.gui.images.atom_scale = self.scale.value
self.gui.draw()
return True
def scale_force_vectors(self):
self.gui.force_vector_scale = float(self.force_vector_scale.value)
self.gui.draw()
return True
def scale_velocity_vectors(self):
self.gui.velocity_vector_scale = float(self.velocity_vector_scale.value)
self.gui.draw()
return True
def hide_selected(self):
self.gui.images.visible[self.gui.images.selected] = False
self.gui.draw()
def show_selected(self):
self.gui.images.visible[self.gui.images.selected] = True
self.gui.draw()
def view_all(self):
self.gui.images.visible[:] = True
self.gui.draw()
def constrain_selected(self):
self.gui.images.set_dynamic(self.gui.images.selected, False)
self.gui.draw()
def release_selected(self):
self.gui.images.set_dynamic(self.gui.images.selected, True)
self.gui.draw()
def clear_constraints(self):
# This clears *all* constraints. But when we constrain, we
# only add FixAtoms....
for atoms in self.gui.images:
atoms.constraints = []
self.gui.draw()
|
