Python parse Exemples

Exemple #1

Fichier : test_smiles.py Projet : qize/UNIFAC

 def test_parser3(self):
     result = parser.parse("CC(=O)C")
     expected = [("branched", ("atom", "C"), [], []), ("branched", ("atom", "C"), [], [("branch", ("bond", 2), [("branched", ("atom", "O"), [], [])])]), ("branched", ("atom", "C"), [], [])]
     self.assertEqual(result, expected)

Exemple #2

Fichier : test_smiles.py Projet : qize/UNIFAC

 def test_parser1(self):
     result = parser.parse("CCCO")
     expected = [("branched", ("atom", "C"), [], []), ("branched", ("atom", "C"), [], []), ("branched", ("atom", "C"), [], []), ("branched", ("atom", "O"), [], [])]
     self.assertEqual(result, expected)