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 35 36 37 38 39 40 41 42 43
|
'''
auto_show_classified
'''
from pymol import cmd, CmdException, testing, stored
n_total = 1435
n_polymer = 1268
n_organic = 48
n_inorganic = 1
n_solvent = 118
n_org_inorg = n_organic + n_inorganic
@testing.requires_version('1.8.1.0')
class TestPYMOL338(testing.PyMOLTestCase):
@testing.foreach(
(0, 1, 0, 0, 0, 0, 0, n_total, n_total),
(1, 1, n_polymer, 0, n_organic, n_organic, n_inorganic, n_solvent, n_solvent),
(2, 1, n_polymer, 0, n_organic, n_organic, n_inorganic, n_total, n_total),
(3, 0, 0, n_polymer, 0, 0, 0, n_org_inorg, n_org_inorg),
)
def testAutoShowClassified(self, asc, asl,
n_cartoon,
n_ribbon,
n_sticks,
n_nb_spheres,
n_spheres,
n_lines,
n_nonbonded):
cmd.set('auto_show_classified', asc)
cmd.set('auto_show_lines', asl)
cmd.set('auto_show_nonbonded', asl)
cmd.load(self.datafile('1rx1.pdb'))
self.assertEqual(cmd.count_atoms('rep lines'), n_lines)
self.assertEqual(cmd.count_atoms('rep nonbonded'), n_nonbonded)
self.assertEqual(cmd.count_atoms('rep cartoon'), n_cartoon)
self.assertEqual(cmd.count_atoms('rep sticks'), n_sticks)
self.assertEqual(cmd.count_atoms('rep nb_spheres'), n_nb_spheres)
self.assertEqual(cmd.count_atoms('rep spheres'), n_spheres)
|