コード例 #1
0
 def test_atoms(self):
     """Asserts whether the atom space is correct or not."""
     test_molecule = Mol("C", "ClCC(Cl)(Cl)Cl")
     with self.subTest():
         self.assertEqual(test_molecule.get_atoms(), ["Cl", "C"])
     with self.subTest():
         self.assertEqual(test_molecule.get_atoms(), ["C", "Cl"])
コード例 #2
0
 def test_atoms(self):
     """Asserts whether the atom space is correct or not."""
     test_molecule = Mol()
     test_molecule.set_start_molecule("C")
     test_molecule.set_target_molecule("ClCC(Cl)(Cl)Cl")
     atom_set = set(test_molecule.get_atoms())
     self.assertEqual(atom_set, {"Cl", "C"})