Coverage for /builds/kinetik161/ase/ase/gui/settings.py: 62.00%

1import ase.gui.ui as ui 

2from ase.gui.i18n import _ 

3 

4 

5class Settings: 

6 def __init__(self, gui): 

7 self.gui = gui 

8 win = ui.Window(_('Settings'), wmtype='utility') 

9 

10 # Constraints 

11 win.add(_('Constraints:')) 

12 win.add([ui.Button(_('Fix'), self.constrain_selected), 

13 '/', 

14 ui.Button(_('release'), self.release_selected), 

15 _(' selected atoms')]) 

16 win.add(ui.Button(_('Clear all constraints'), self.clear_constraints)) 

17 

18 # Visibility 

19 win.add(_('Visibility:')) 

20 win.add([ui.Button(_('Hide'), self.hide_selected), 

21 '/', 

22 ui.Button(_('show'), self.show_selected), 

23 _(' selected atoms')]) 

24 win.add(ui.Button(_('View all atoms'), self.view_all)) 

25 

26 # Miscellaneous 

27 win.add(_('Miscellaneous:')) 

28 self.scale = ui.SpinBox(self.gui.images.atom_scale, 

29 0.2, 2.0, 0.1, self.scale_radii) 

30 win.add([_('Scale atomic radii:'), self.scale]) 

31 self.force_vector_scale = ui.SpinBox( 

32 self.gui.force_vector_scale, 

33 0.0, 1e32, 0.1, 

34 rounding=2, 

35 callback=self.scale_force_vectors 

36 ) 

37 win.add([_('Scale force vectors:'), self.force_vector_scale]) 

38 self.velocity_vector_scale = ui.SpinBox( 

39 self.gui.velocity_vector_scale, 

40 0.0, 1e32, 0.1, 

41 rounding=2, 

42 callback=self.scale_velocity_vectors 

43 ) 

44 win.add([_('Scale velocity vectors:'), self.velocity_vector_scale]) 

45 

46 def scale_radii(self): 

47 self.gui.images.atom_scale = self.scale.value 

48 self.gui.draw() 

49 return True 

50 

51 def scale_force_vectors(self): 

52 self.gui.force_vector_scale = float(self.force_vector_scale.value) 

53 self.gui.draw() 

54 return True 

55 

56 def scale_velocity_vectors(self): 

57 self.gui.velocity_vector_scale = float(self.velocity_vector_scale.value) 

58 self.gui.draw() 

59 return True 

60 

61 def hide_selected(self): 

62 self.gui.images.visible[self.gui.images.selected] = False 

63 self.gui.draw() 

64 

65 def show_selected(self): 

66 self.gui.images.visible[self.gui.images.selected] = True 

67 self.gui.draw() 

68 

69 def view_all(self): 

70 self.gui.images.visible[:] = True 

71 self.gui.draw() 

72 

73 def constrain_selected(self): 

74 self.gui.images.set_dynamic(self.gui.images.selected, False) 

75 self.gui.draw() 

76 

77 def release_selected(self): 

78 self.gui.images.set_dynamic(self.gui.images.selected, True) 

79 self.gui.draw() 

80 

81 def clear_constraints(self): 

82 # This clears *all* constraints. But when we constrain, we 

83 # only add FixAtoms.... 

84 for atoms in self.gui.images: 

85 atoms.constraints = [] 

86 self.gui.draw()