Exemple #1
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 def testAromaticCyclohexane(self):
     """
     Test the Molecule.isAromatic() method for Cyclohexane.
     """
     m = Molecule().fromSMILES('C1CCCCC1')
     isomers = m.generateResonanceIsomers()
     self.assertFalse(any(isomer.isAromatic() for isomer in isomers))
Exemple #2
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 def testAromaticCyclohexane(self):
     """
     Test the Molecule.isAromatic() method for Cyclohexane.
     """
     m = Molecule().fromSMILES('C1CCCCC1')
     isomers = m.generateResonanceIsomers()
     self.assertFalse(any(isomer.isAromatic() for isomer in isomers))
Exemple #3
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 def testAromaticNaphthalene(self):
     """
     Test the Molecule.isAromatic() method for Naphthalene.
     """
     m = Molecule().fromSMILES('C12C(C=CC=C1)=CC=CC=2')
     isomers = m.generateResonanceIsomers()
     self.assertTrue(any(isomer.isAromatic() for isomer in isomers))
Exemple #4
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 def testAromaticNaphthalene(self):
     """
     Test the Molecule.isAromatic() method for Naphthalene.
     """
     m = Molecule().fromSMILES('C12C(C=CC=C1)=CC=CC=2')
     isomers = m.generateResonanceIsomers()
     self.assertTrue(any(isomer.isAromatic() for isomer in isomers))