44 lines
1.4 KiB
Python
44 lines
1.4 KiB
Python
'''
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auto_show_classified
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'''
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from pymol import cmd, CmdException, testing, stored
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n_total = 1435
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n_polymer = 1268
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n_organic = 48
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n_inorganic = 1
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n_solvent = 118
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n_org_inorg = n_organic + n_inorganic
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@testing.requires_version('1.8.1.0')
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class TestPYMOL338(testing.PyMOLTestCase):
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@testing.foreach(
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(0, 1, 0, 0, 0, 0, 0, n_total, n_total),
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(1, 1, n_polymer, 0, n_organic, n_organic, n_inorganic, n_solvent, n_solvent),
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(2, 1, n_polymer, 0, n_organic, n_organic, n_inorganic, n_total, n_total),
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(3, 0, 0, n_polymer, 0, 0, 0, n_org_inorg, n_org_inorg),
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)
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def testAutoShowClassified(self, asc, asl,
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n_cartoon,
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n_ribbon,
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n_sticks,
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n_nb_spheres,
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n_spheres,
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n_lines,
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n_nonbonded):
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cmd.set('auto_show_classified', asc)
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cmd.set('auto_show_lines', asl)
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cmd.set('auto_show_nonbonded', asl)
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cmd.load(self.datafile('1rx1.pdb'))
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self.assertEqual(cmd.count_atoms('rep lines'), n_lines)
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self.assertEqual(cmd.count_atoms('rep nonbonded'), n_nonbonded)
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self.assertEqual(cmd.count_atoms('rep cartoon'), n_cartoon)
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self.assertEqual(cmd.count_atoms('rep sticks'), n_sticks)
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self.assertEqual(cmd.count_atoms('rep nb_spheres'), n_nb_spheres)
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self.assertEqual(cmd.count_atoms('rep spheres'), n_spheres)
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