Addressed review comments (23682b9a) · Commits · 钟慕尧 / deepchem

deepchem/feat/molecule_featurizers/mat_featurizer.py

+3 −7

Original line number	Diff line number	Diff line
		@@ -70,8 +70,8 @@ class MATFeaturizer(MolecularFeaturizer):
		try:
		from rdkit.Chem import AllChem
		from rdkit import Chem
		except:
		raise ModuleNotFoundError('This class requires RDKit to be installed.')
		except ModuleNotFoundError:
		pass
		try:
		mol = Chem.AddHs(mol)
		AllChem.EmbedMolecule(mol, maxAttempts=5000)
		@@ -223,11 +223,7 @@ class MATFeaturizer(MolecularFeaturizer):
		raise DeprecationWarning(
		'Mol is being phased out as a parameter, please pass "datapoint" instead.'
		)

		try:
		from rdkit import Chem
		except:
		raise ImportError("This class requires RDKit to be installed.")

		datapoint = self.construct_mol(datapoint)