def test_indistinguishable(self):
     """
     Test that the _indistinguishable function works properly
     """
     mol = Molecule().fromSMILES('c1ccccc1')
     self.assertTrue(_indistinguishable(mol.atoms[0], mol.atoms[1]))
     self.assertTrue(_indistinguishable(mol.atoms[0], mol.atoms[2]))
     self.assertTrue(_indistinguishable(mol.atoms[0], mol.atoms[3]))
Ejemplo n.º 2
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 def test_indistinguishable(self):
     """
     Test that the _indistinguishable function works properly
     """
     mol = Molecule().fromSMILES('c1ccccc1')
     self.assertTrue(_indistinguishable(mol.atoms[0], mol.atoms[1]))
     self.assertTrue(_indistinguishable(mol.atoms[0], mol.atoms[2]))
     self.assertTrue(_indistinguishable(mol.atoms[0], mol.atoms[3]))
 def test_indistinguishable_2(self):
     """
     Test that the _indistinguishable function works properly
     """
     mol = Molecule().fromSMILES('c1ccccc1[O]')
     # Carbon with O different from other carbons (with H)
     self.assertFalse(_indistinguishable(mol.atoms[5], mol.atoms[4]))
     self.assertFalse(_indistinguishable(mol.atoms[5], mol.atoms[3]))
     self.assertFalse(_indistinguishable(mol.atoms[5], mol.atoms[2]))
     # Ortho carbons are the same
     self.assertTrue(_indistinguishable(mol.atoms[0], mol.atoms[4]))
     # Meta carbons are the same
     self.assertTrue(_indistinguishable(mol.atoms[1], mol.atoms[3]))
     # O is different from H
     self.assertFalse(_indistinguishable(mol.atoms[6], mol.atoms[7]))
Ejemplo n.º 4
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 def test_indistinguishable_2(self):
     """
     Test that the _indistinguishable function works properly
     """
     mol = Molecule().fromSMILES('c1ccccc1[O]')
     # Carbon with O different from other carbons (with H)
     self.assertFalse(_indistinguishable(mol.atoms[5], mol.atoms[4]))
     self.assertFalse(_indistinguishable(mol.atoms[5], mol.atoms[3]))
     self.assertFalse(_indistinguishable(mol.atoms[5], mol.atoms[2]))
     # Ortho carbons are the same
     self.assertTrue(_indistinguishable(mol.atoms[0], mol.atoms[4]))
     # Meta carbons are the same
     self.assertTrue(_indistinguishable(mol.atoms[1], mol.atoms[3]))
     # O is different from H
     self.assertFalse(_indistinguishable(mol.atoms[6], mol.atoms[7]))