fixing pymatgen import docstrings (967484d0) · Commits · 钟慕尧 / deepchem

deepchem/feat/material_featurizers/sine_coulomb_matrix.py

+3 −3

Original line number	Diff line number	Diff line
		@@ -35,8 +35,8 @@ class SineCoulombMatrix(MaterialStructureFeaturizer):
		Examples
		--------
		>>> import pymatgen as mg
		>>> lattice = mg.Lattice.cubic(4.2)
		>>> structure = mg.Structure(lattice, ["Cs", "Cl"], [[0, 0, 0], [0.5, 0.5, 0.5]])
		>>> lattice = mg.core.Lattice.cubic(4.2)
		>>> structure = mg.core.Structure(lattice, ["Cs", "Cl"], [[0, 0, 0], [0.5, 0.5, 0.5]])
		>>> featurizer = SineCoulombMatrix(max_atoms=2)
		>>> features = featurizer.featurize([structure])

		@@ -65,7 +65,7 @@ class SineCoulombMatrix(MaterialStructureFeaturizer):

		Parameters
		----------
		struct: pymatgen.Structure
		struct: pymatgen.core.Structure
		A periodic crystal composed of a lattice and a sequence of atomic
		sites with 3D coordinates and elements.