59 lines
1.4 KiB
Python
59 lines
1.4 KiB
Python
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'''
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Testing: pymol.importing
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'''
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import pytest
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from pymol import cmd
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from chempy import cpv
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def test_undo_clean():
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cmd.fragment('his')
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xyz1 = cmd.get_model('his').get_coord_list()
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cmd.clean('his')
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xyz2 = cmd.get_model('his').get_coord_list()
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assert len(xyz1) == len(xyz2)
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# coords have changed
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assert xyz1 != xyz2
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cmd.undo()
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xyz2 = cmd.get_model('his').get_coord_list()
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assert xyz1 == xyz2
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cmd.redo()
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xyz2 = cmd.get_model('his').get_coord_list()
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assert xyz1 != xyz2
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def test_undo_origin():
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cmd.pseudoatom('m1')
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cmd.pseudoatom('m2')
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cmd.pseudoatom('m3', pos=[1, 0, 0])
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# by selection
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cmd.origin('m3')
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cmd.rotate('y', 90, 'm1')
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# by position
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cmd.origin(position=[-1, 0, 0])
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cmd.undo()
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cmd.rotate('y', 90, 'm2')
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coords = []
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cmd.iterate_state(1, 'm1 m2', 'coords.append([x,y,z])', space=locals())
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d = cpv.distance(*coords)
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assert d == pytest.approx(0)
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cmd.delete("*")
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cmd.pseudoatom('m1')
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cmd.pseudoatom('m2')
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cmd.pseudoatom('m3', pos=[1, 0, 0])
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# by selection
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cmd.origin('m3')
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cmd.rotate('y', 90, 'm1')
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# by position
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cmd.origin(position=[-1, 0, 0])
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cmd.undo()
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cmd.redo()
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cmd.rotate('y', 90, 'm2')
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coords = []
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cmd.iterate_state(1, 'm1 m2', 'coords.append([x,y,z])', space=locals())
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d = cpv.distance(*coords)
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assert d == pytest.approx(2 * 2**0.5)
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