Changed getAtomicNum to GetAtomicNum (9d15a5b4) · Commits · 钟慕尧 / deepchem

deepchem/feat/molecule_featurizers/mat_featurizer.py

+1 −1

Original line number	Diff line number	Diff line
		@@ -27,7 +27,7 @@ class MATFeaturizer(MolecularFeaturizer):

		def atom_features(self, atom, one_hot_formal_charge=True):
		attrib = []
		attrib += one_hot_encode(atom.getAtomicNumber(),
		attrib += one_hot_encode(atom.GetAtomicNumber(),
		[5, 6, 7, 8, 9, 15, 16, 17, 35, 53, 999])
		attrib += one_hot_encode(len(atom.GetNeighbors()), [0, 1, 2, 3, 4, 5])
		attrib += one_hot_encode(atom.GetTotalNumHs(), [0, 1, 2, 3, 4])