🐛 fix test error

    for i, mol in enumerate(molecules):

      if i % log_every_n == 0:

        logger.info("Featurizing datapoint %i" % i)

      try:

        if isinstance(mol, str):

          # mol must be a RDKit Mol object, so parse a SMILES

          # SMILES is unique, so set a canonical order of atoms

          new_order = rdmolfiles.CanonicalRankAtoms(mol)

          mol = rdmolops.RenumberAtoms(mol, new_order)

        features.append(self._featurize(mol))

      except Exception as e:

        smiles = Chem.MolToSmiles(mol) if not isinstance(mol, str) else mol

        if isinstance(mol, Chem.rdchem.Mol):

          mol = Chem.MolToSmiles(mol)

        logger.warning(

            "Failed to featurize datapoint %d, %s. Appending empty array", i,

            smiles)

            mol)

        logger.warning("Exception message: {}".format(e))

        features.append(np.array([]))