From 0018837606b5c03da32bc8a0db20df865009c0bd Mon Sep 17 00:00:00 2001 From: "pre-commit-ci[bot]" <66853113+pre-commit-ci[bot]@users.noreply.github.com> Date: Sat, 19 Aug 2023 03:05:45 +0000 Subject: [PATCH] pre-commit auto-fixes --- tests/io/feff/test_sets.py | 5 +++-- 1 file changed, 3 insertions(+), 2 deletions(-) diff --git a/tests/io/feff/test_sets.py b/tests/io/feff/test_sets.py index 34de12e1de3..e02f7347483 100644 --- a/tests/io/feff/test_sets.py +++ b/tests/io/feff/test_sets.py @@ -6,12 +6,13 @@ import pytest from numpy.testing import assert_allclose +from pymatgen.core import Element from pymatgen.core.structure import Lattice, Molecule, Structure from pymatgen.io.cif import CifParser from pymatgen.io.feff.inputs import Atoms, Header, Potential, Tags from pymatgen.io.feff.sets import FEFFDictSet, MPELNESSet, MPEXAFSSet, MPXANESSet from pymatgen.util.testing import TEST_FILES_DIR, PymatgenTest -from pymatgen.core import Element + class TestFeffInputSet(PymatgenTest): @classmethod @@ -259,7 +260,7 @@ def test_big_radius(self): }, ) assert str(dict_set) is not None - + def test_cluster_index(self): cif_file = f"{TEST_FILES_DIR}/UF4_test.cif" structure = CifParser(cif_file).get_structures()[0]