e82858045d10b2b23d38f24523ebb66d94fdeb77,tests/chem/test_Molecule.py,,test_exception_smiles,#,33

Before Change

    return inchi

def test_exception_smiles():
    m = Molecule()
    // syntax error: SMILES Parse Error
    with pytest.raises(ValueError):
        m.load("fake", "smiles")
    // wrong SMILES
    with pytest.raises(ValueError):
        m.load("CO(C)C", "smiles")
    // can"t kekulize
    with pytest.raises(ValueError):
        m.load("c1cc1", "smiles")

def test_exception_smarts():
    m = Molecule()
    // syntax error: SMARTS Parse Error

After Change

def test_exception_smiles():
    // syntax error: SMILES Parse Error
    with pytest.raises(ValueError):
        m = Molecule("fake", "smiles")
    // wrong SMILES
    with pytest.raises(ValueError):
        m = Molecule("CO(C)C", "smiles")
    // can"t kekulize

Instances