1from ase.gui.i18n import _ 

2 

3import ase.gui.ui as ui 

4 

5 

6class Settings: 

7 def __init__(self, gui): 

8 self.gui = gui 

9 win = ui.Window(_('Settings')) 

10 

11 # Constraints 

12 win.add(_('Constraints:')) 

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

14 '/', 

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

16 _(' selected atoms')]) 

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

18 

19 # Visibility 

20 win.add(_('Visibility:')) 

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

22 '/', 

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

24 _(' selected atoms')]) 

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

26 

27 # Miscellaneous 

28 win.add(_('Miscellaneous:')) 

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

30 0.2, 2.0, 0.1, self.scale_radii) 

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

32 self.force_vector_scale = ui.SpinBox( 

33 self.gui.force_vector_scale, 

34 0.0, 1e32, 0.1, 

35 rounding=2, 

36 callback=self.scale_force_vectors 

37 ) 

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

39 self.velocity_vector_scale = ui.SpinBox( 

40 self.gui.velocity_vector_scale, 

41 0.0, 1e32, 0.1, 

42 rounding=2, 

43 callback=self.scale_velocity_vectors 

44 ) 

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

46 

47 def scale_radii(self): 

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

49 self.gui.draw() 

50 return True 

51 

52 def scale_force_vectors(self): 

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

54 self.gui.draw() 

55 return True 

56 

57 def scale_velocity_vectors(self): 

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

59 self.gui.draw() 

60 return True 

61 

62 def hide_selected(self): 

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

64 self.gui.draw() 

65 

66 def show_selected(self): 

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

68 self.gui.draw() 

69 

70 def view_all(self): 

71 self.gui.images.visible[:] = True 

72 self.gui.draw() 

73 

74 def constrain_selected(self): 

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

76 self.gui.draw() 

77 

78 def release_selected(self): 

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

80 self.gui.draw() 

81 

82 def clear_constraints(self): 

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

84 # only add FixAtoms.... 

85 for atoms in self.gui.images: 

86 atoms.constraints = [] 

87 self.gui.draw()