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'''
PYMOL-317
can't select by atom type
'''
import os
from pymol import cmd, testing, stored
import unittest
@testing.requires('mmlibs')
@testing.requires('incentive')
@testing.requires('no_edu')
class TestPYMOL317(testing.PyMOLTestCase):
def _testLabelByAtomType(self):
cmd.load(self.datafile('1oky.pdb.gz'))
cmd.remove("alt 'B'")
cmd.label('resn STU', 'text_type')
c3labels = []
cmd.iterate("resn STU", "c3labels.append(label == 'C.3')", space=locals())
self.assertEquals(sum(c3labels), 8)
def testSelectByAtomType(self):
cmd.load(self.datafile('1oky.pdb.gz'))
cmd.remove("alt 'B'")
cmd.select('foo', "resn STU and text_type 'C.3'")
self.assertEquals(cmd.count_atoms('foo'), 8)
# discrete object
cmd.delete('*')
cmd.load(self.datafile('ligs3d.sdf'))
self.assertTrue(cmd.count_discrete('*') > 0)
n = cmd.select('foo', "text_type 'C.3'")
self.assertEquals(n, 115)
# only run label test if selection tests passed. Don't wnat
# more than one failing tests for builds with NO_MMLIBS
cmd.delete('*')
self._testLabelByAtomType()
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