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modified the related unittest for [CH]
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rmgpy/molecule/moleculeTest.py

Lines changed: 4 additions & 4 deletions
Original file line numberDiff line numberDiff line change
@@ -1042,12 +1042,12 @@ def testPickle(self):
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def testRadicalCH(self):
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"""
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Test that the species [CH] has three radical electrons and a spin multiplicity of 4.
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Test that the species [CH] has one radical electrons and a spin multiplicity of 2.
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"""
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molecule = Molecule().fromSMILES('[CH]')
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self.assertEqual(molecule.atoms[0].radicalElectrons, 3)
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self.assertEqual(molecule.multiplicity, 4)
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self.assertEqual(molecule.getRadicalCount(), 3)
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self.assertEqual(molecule.atoms[0].radicalElectrons, 1)
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self.assertEqual(molecule.multiplicity, 2)
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self.assertEqual(molecule.getRadicalCount(), 1)
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def testRadicalCH2(self):
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"""

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