mirror of
https://github.com/schrodinger/pymol-open-source.git
synced 2026-06-04 20:04:21 +08:00
66 lines
1.8 KiB
Python
66 lines
1.8 KiB
Python
'''
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Testing: pymol.editor
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'''
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from pymol import cmd, testing, stored, editor
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class TestEditorFab(testing.PyMOLTestCase):
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'''
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fab(input, name=None, mode='peptide', resi=1, chain='', segi='',
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state=-1, dir=1, hydro=-1, ss=0, async=-1, quiet=1)
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The only valid mode is 'peptide'.
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'''
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def testSimple(self):
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cmd.fab('AA')
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v = cmd.get_object_list()
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self.assertEqual(v, ['obj01'])
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def testAdvanced(self):
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cmd.fab('A/123/ ADC B/234/ AFCD')
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v = cmd.get_chains()
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self.assertEqual(v, ['A', 'B'])
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cmd.iterate('last chain B', 'stored.v = (resv, resn)')
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self.assertEqual(stored.v, (237, 'ASP'))
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def testIdentifiers(self):
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seq = 'ACD'
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segi = 'foo'
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chain = 'F'
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resv = 10
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cmd.fab(seq, 'm1', 'peptide', resv, chain, segi)
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cmd.iterate('first m1', 'stored.v = (segi, chain, resv, resn)')
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self.assertEqual(stored.v, (segi, chain, resv, 'ALA'))
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cmd.iterate('last m1', 'stored.v = (segi, chain, resv, resn)')
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self.assertEqual(stored.v, (segi, chain, resv + 2, 'ASP'))
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v = cmd.get_fastastr().splitlines()[1]
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self.assertEqual(v, seq)
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def testDir(self):
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seq = 'ACD'
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resv = 5
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cmd.fab(seq, 'm1', resi=resv, dir=-1)
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# incentive needs sort, opensource is already sorted
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cmd.sort()
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cmd.iterate('first m1', 'stored.v = (resv, resn)')
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self.assertEqual(stored.v, (resv - 2, 'ASP'))
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@testing.foreach('AA', 'A')
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def testHydro(self, seq):
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cmd.fab(seq, hydro='0')
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v = cmd.count_atoms('hydro')
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self.assertEqual(0, v, 'failed to remove hydrogens on ' + seq)
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@testing.foreach.zip(range(5))
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def testSS(self, ss):
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cmd.fab('AAAPAAA', 'm1', ss=ss)
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