def test_is_valid_inchi(): """Test if strings are correctly classified.""" inchi_true = [ "InChI=1S/C2H7N3/c1-5-2(3)4/h1H3,(H4,3,4,5)", '"InChI=1S/C2H7N3/c1-5-2(3)4/h1H3,(H4,3,4,5)"' ] inchi_false = [ "1S/C2H7N3/c1-5-2(3)4/h1H3,(H4,3,4,5)", "InChI=1S/C2H7N3/c152(3)4/h1H3,(H4,3,4,5)", "InChI=C2H7N3/c1-5-2(3)4/h1H3,(H4,3,4,5)", "InChI=1S/C2H7N3/c1-5-2(3)" ] for inchi in inchi_true: assert is_valid_inchi(inchi), "Expected inchi is True." for inchi in inchi_false: assert not is_valid_inchi(inchi), "Expected inchi is False."
def test_is_valid_inchi_none_input(): """Test None entry.""" pytest.importorskip("rdkit") assert not is_valid_inchi(None), "Expected None entry to give False."
def test_is_valid_inchi_none_input(): """Test None entry.""" assert not is_valid_inchi(None), "Expected None entry to give False."