1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
|
from pymol import cmd, testing, stored
@testing.requires('incentive')
@testing.requires('no_edu')
class TestMorphing(testing.PyMOLTestCase):
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 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'))
|
