def test_is_valid_smiles(): """Test if strings are correctly classified.""" smiles_true = [ r"CN1COCN(CC2=CN=C(Cl)S2)\C1=N\[N+]([O-])=O", r"CN1N(C(=O)C=C1C)c1ccccc1", r"COC(=O)C1=CN=CC=N1" ] smiles_false = [ r"CN1N(C(=O)C=C1C)c1cccccx1", r"CN1COCN(CC2=CN=C(Cl)S2)\C1=N\[N+++]([O-])=O", r"COC(=O[)]C1=CN=CC=N1", r"1S/C2H7N3/c1-5-2(3)4" ] for smiles in smiles_true: assert is_valid_smiles(smiles), "Expected smiles is True." for smiles in smiles_false: assert not is_valid_smiles(smiles), "Expected smiles is False."
def test_is_valid_smiles_none_input(): """Test None entry.""" pytest.importorskip("rdkit") assert not is_valid_smiles(None), "Expected None entry to give False."
def test_is_valid_smiles_none_input(): """Test None entry.""" assert not is_valid_smiles(None), "Expected None entry to give False."