fixing pymatgen import errors and docstring (5b088f12) · Commits · 钟慕尧 / deepchem

deepchem/feat/material_featurizers/lcnn_featurizer.py

+3 −3

Original line number	Diff line number	Diff line
		@@ -61,7 +61,7 @@ class LCNNFeaturizer(MaterialStructureFeaturizer):
		Examples
		--------
		>>> import deepchem as dc
		>>> from pymatgen import Structure
		>>> from pymatgen.core import Structure
		>>> import numpy as np
		>>> PRIMITIVE_CELL = {
		... "lattice": [[2.818528, 0.0, 0.0],
		@@ -147,7 +147,7 @@ class LCNNFeaturizer(MaterialStructureFeaturizer):
		used down to 2 digits.
		"""
		try:
		from pymatgen import Structure
		from pymatgen.core import Structure
		except:
		raise ImportError("This class requires pymatgen to be installed.")

		@@ -626,7 +626,7 @@ def _get_SiteEnvironments(struct: PymatgenStructure,
		list of local_env class
		"""
		try:
		from pymatgen import Molecule
		from pymatgen.core import Molecule
		from pymatgen.symmetry.analyzer import PointGroupAnalyzer
		except:
		raise ImportError("This class requires pymatgen to be installed.")