def testMorphRigimol(self):
     cmd.set('suspend_undo')
     import epymol.rigimol
     cmd.fab('ACD', 'm1')
     cmd.create('m1', 'm1', 1, 2)
     cmd.rotate('x', 90, 'm1', 2)
     steps = 5
     cmd.morph('mout', 'm1', refinement=1, steps=steps, method='rigimol')
     self.assertEqual(steps, cmd.count_states('mout'))
     self.assertEqual(cmd.count_atoms('m1'), cmd.count_atoms('mout'))
Exemple #2
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 def testMorphRigimol(self):
     cmd.set('suspend_undo')
     import epymol.rigimol
     cmd.fab('ACD', 'm1')
     cmd.create('m1', 'm1', 1, 2)
     cmd.rotate('x', 90, 'm1', 2)
     steps = 5
     cmd.morph('mout', 'm1', refinement=1, steps=steps, method='rigimol')
     self.assertEqual(steps, cmd.count_states('mout'))
     self.assertEqual(cmd.count_atoms('m1'),
                      cmd.count_atoms('mout'))
 def test(self):
     cmd.set('suspend_undo')
     cmd.fragment('gly', 'm1')
     cmd.remove('not ID 0+1')
     cmd.create('m1', 'm1', 1, 2)
     cmd.rotate('x', 90, 'm1', 2)
     steps = 5
     cmd.morph('mout', 'm1', refinement=0, steps=steps, method='rigimol')
     self.assertEqual(steps, cmd.count_states('mout'))
     self.assertEqual(cmd.count_atoms('m1'),
                      cmd.count_atoms('mout'))
 def testMorphMulti(self):
     cmd.set('suspend_undo')
     cmd.fab('ACD', 'm1')
     cmd.create('m1', 'm1', 1, 2)
     cmd.create('m1', 'm1', 1, 3)
     cmd.rotate('x', 90, 'm1', 2)
     cmd.rotate('x', 45, 'm1', 3)
     steps = 5
     cmd.morph('mout', 'm1', None, 0, 0, 0, steps, 'linear')
     self.assertEqual(steps * 2, cmd.count_states('mout'))
     self.assertEqual(cmd.count_atoms('m1'), cmd.count_atoms('mout'))
     cmd.morph('mo2', 'm1', None, 0, -1, 0, steps, 'linear')
     self.assertEqual(steps * 3, cmd.count_states('mo2'))
     self.assertEqual(cmd.count_atoms('m1'), cmd.count_atoms('mo2'))
Exemple #5
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 def testMorphMulti(self):
     cmd.set('suspend_undo')
     cmd.fab('ACD', 'm1')
     cmd.create('m1', 'm1', 1, 2)
     cmd.create('m1', 'm1', 1, 3)
     cmd.rotate('x', 90, 'm1', 2)
     cmd.rotate('x', 45, 'm1', 3)
     steps = 5
     cmd.morph('mout', 'm1', None, 0, 0, 0, steps, 'linear')
     self.assertEqual(steps * 2, cmd.count_states('mout'))
     self.assertEqual(cmd.count_atoms('m1'),
                      cmd.count_atoms('mout'))
     cmd.morph('mo2', 'm1', None, 0, -1, 0, steps, 'linear')
     self.assertEqual(steps * 3, cmd.count_states('mo2'))
     self.assertEqual(cmd.count_atoms('m1'),
                      cmd.count_atoms('mo2'))