fixing pymatgen import error and docstrings (b1023495) · Commits · 钟慕尧 / deepchem

deepchem/feat/base_classes.py

+4 −4

Original line number	Diff line number	Diff line
		@@ -321,8 +321,8 @@ class MaterialStructureFeaturizer(Featurizer):
		----------
		structures: Iterable[Union[Dict, pymatgen.Structure]]
		Iterable sequence of pymatgen structure dictionaries
		or pymatgen.Structure. Please confirm the dictionary representations
		of pymatgen.Structure from https://pymatgen.org/pymatgen.core.structure.html.
		or pymatgen.core.Structure. Please confirm the dictionary representations
		of pymatgen.core.Structure from https://pymatgen.org/pymatgen.core.structure.html.
		log_every_n: int, default 1000
		Logging messages reported every `log_every_n` samples.

		@@ -333,7 +333,7 @@ class MaterialStructureFeaturizer(Featurizer):
		`structures`.
		"""
		try:
		from pymatgen import Structure
		from pymatgen.core import Structure
		except ModuleNotFoundError:
		raise ImportError("This class requires pymatgen to be installed.")

		@@ -395,7 +395,7 @@ class MaterialCompositionFeaturizer(Featurizer):
		`compositions`.
		"""
		try:
		from pymatgen import Composition
		from pymatgen.core import Composition
		except ModuleNotFoundError:
		raise ImportError("This class requires pymatgen to be installed.")