b558d6e423f8ba97141f0c865c54e11b6a40b65e,deepchem/feat/tests/test_molgan_featurizer.py,TestMolganFeaturizer,test_featurizer_smiles,#TestMolganFeaturizer#,8

Before Change

    // test defeaturization
    mols = featurizer.defeaturize(data)
    valid_mols = list(filter(lambda x: isinstance(x, Chem.rdchem.Mol), mols))
    invalid_mols = list(
        filter(lambda x: not isinstance(x, Chem.rdchem.Mol), mols))
    assert len(valid_mols) == len(valid_mols)
    assert len(invalid_mols) == len(invalid_graph)

    def test_featurizer_rdkit(self):

After Change

        "C1COC2NCCC2C1", "C1=NCc2ccccc21"
    ]

    invalid_smiles = ["axa", "xyz", "inv"]

    featurizer = MolGanFeaturizer()
    valid_data = featurizer.featurize(smiles)
    invalid_data = featurizer.featurize(invalid_smiles)

    // test featurization
    valid_graphs = list(
        filter(lambda x: isinstance(x, GraphMatrix), valid_data))

Instances