def testLinear(self):
"""Identify linear molecules"""
# http://cactus.nci.nih.gov/chemical/structure/C1CCCC1C/image
test_set = [('CC', False),
('CCC', False),
('CC(C)(C)C', False),
('C',False),
('[H]',False),
('O=O',True),
#('O=S',True),
('O=C=O',True),
('C#C', True),
('C#CC#CC#C', True)
]
fail_message = ''
for smile,should_be in test_set:
molecule = Molecule(SMILES=smile)
symmetryNumber = molecule.isLinear()
if symmetryNumber!=should_be:
fail_message+="Got linearity %s for %s (expected %s)\n"%(symmetryNumber,smile,should_be)
self.assertEqual(fail_message,'',fail_message)
