diff --git a/tests/format/test_info_array_calc.py b/tests/format/test_info_array_calc.py index fd84a3c7..5cae01b8 100644 --- a/tests/format/test_info_array_calc.py +++ b/tests/format/test_info_array_calc.py @@ -1,10 +1,11 @@ -import pytest -import znh5md import numpy as np -from ase.build import molecule import numpy.testing as npt +import pytest +from ase.build import molecule from ase.calculators.singlepoint import SinglePointCalculator +import znh5md + # Define assertion functions for different data types def assert_equal(actual, expected): @@ -72,8 +73,6 @@ def test_info(io_fixture, water_molecule, key, value, assert_fn): assert io_fixture[0].calc is None - - @pytest.mark.parametrize( "key,value,assert_fn", [ @@ -107,7 +106,6 @@ def test_calc(io_fixture, water_molecule, key, value, assert_fn): assert_fn(io_fixture[0].calc.results[key], value) assert key not in io_fixture[0].arrays assert io_fixture[0].info == {} - @pytest.mark.parametrize(