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'''
some elements assigned wrong from GRO files
'''
import os
from pymol import cmd, CmdException, testing, stored
@testing.requires_version('1.7.4')
class TestElem(testing.PyMOLTestCase):
def test(self):
cmd.set('retain_order')
cmd.load(self.datafile('MCRKY-Mg-Ca-Cl.gro'))
elem_set = set()
cmd.iterate('index 1-98', 'elem_set.add(elem)', space=locals())
self.assertEqual(elem_set, set(['C', 'H', 'N', 'O', 'S']))
elem_set = set()
cmd.iterate('index 99-101', 'elem_set.add(elem)', space=locals())
self.assertEqual(elem_set, set(['Ca', 'Cl', 'Mg']))
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