Coverage for /builds/kinetik161/ase/ase/gui/constraints.py: 73.68%

1import ase.gui.ui as ui 

2from ase.gui.i18n import _ 

3 

4 

5class Constraints: 

6 def __init__(self, gui): 

7 win = ui.Window(_('Constraints'), wmtype='utility') 

8 win.add([ui.Button(_('Fix'), self.selected), 

9 _('selected atoms')]) 

10 win.add([ui.Button(_('Release'), self.unconstrain), 

11 _('selected atoms')]) 

12 win.add(ui.Button(_('Clear all constraints'), self.clear)) 

13 self.gui = gui 

14 

15 def selected(self): 

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

17 self.gui.draw() 

18 

19 def unconstrain(self): 

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

21 self.gui.draw() 

22 

23 def clear(self): 

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

25 # only add FixAtoms.... 

26 for atoms in self.gui.images: 

27 atoms.constraints = [] 

28 

29 # Also, these methods are repeated from settings.py *grumble* 

30 self.gui.draw()