35 lines
1.3 KiB
Python
35 lines
1.3 KiB
Python
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from pymol import cmd, testing, stored
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@testing.requires('incentive')
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@testing.requires('no_edu')
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class TestMorphing(testing.PyMOLTestCase):
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def testMorphRigimol(self):
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cmd.set('suspend_undo')
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import epymol.rigimol
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cmd.fab('ACD', 'm1')
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cmd.create('m1', 'm1', 1, 2)
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cmd.rotate('x', 90, 'm1', 2)
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steps = 5
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cmd.morph('mout', 'm1', refinement=1, steps=steps, method='rigimol')
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self.assertEqual(steps, cmd.count_states('mout'))
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self.assertEqual(cmd.count_atoms('m1'),
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cmd.count_atoms('mout'))
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def testMorphMulti(self):
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cmd.set('suspend_undo')
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cmd.fab('ACD', 'm1')
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cmd.create('m1', 'm1', 1, 2)
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cmd.create('m1', 'm1', 1, 3)
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cmd.rotate('x', 90, 'm1', 2)
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cmd.rotate('x', 45, 'm1', 3)
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steps = 5
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cmd.morph('mout', 'm1', None, 0, 0, 0, steps, 'linear')
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self.assertEqual(steps * 2, cmd.count_states('mout'))
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self.assertEqual(cmd.count_atoms('m1'),
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cmd.count_atoms('mout'))
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cmd.morph('mo2', 'm1', None, 0, -1, 0, steps, 'linear')
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self.assertEqual(steps * 3, cmd.count_states('mo2'))
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self.assertEqual(cmd.count_atoms('m1'),
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cmd.count_atoms('mo2'))
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