From 50e401d9b8054781f6db286aaf6033c6c32a6977 Mon Sep 17 00:00:00 2001 From: t-reents Date: Fri, 24 Jan 2025 13:53:50 +0100 Subject: [PATCH] Fix comparison in tests --- tests/workflows/test_pdos.py | 9 +++++---- 1 file changed, 5 insertions(+), 4 deletions(-) diff --git a/tests/workflows/test_pdos.py b/tests/workflows/test_pdos.py index 40706353..c79c0f62 100644 --- a/tests/workflows/test_pdos.py +++ b/tests/workflows/test_pdos.py @@ -7,6 +7,7 @@ from aiida.common import LinkType from aiida.engine.utils import instantiate_process from aiida.manage.manager import get_manager +import numpy as np from plumpy import ProcessState import pytest @@ -33,10 +34,10 @@ def check_pdos_energy_range(dos_inputs, projwfc_inputs, expected_p_dos_inputs): dos_params = dos_inputs.parameters.get_dict() projwfc_params = projwfc_inputs.parameters.get_dict() - assert dos_params['DOS']['Emin'] == expected_p_dos_inputs[0] - assert dos_params['DOS']['Emax'] == expected_p_dos_inputs[1] - assert projwfc_params['PROJWFC']['Emin'] == expected_p_dos_inputs[0] - assert projwfc_params['PROJWFC']['Emax'] == expected_p_dos_inputs[1] + assert np.isclose(dos_params['DOS']['Emin'], expected_p_dos_inputs[0]) + assert np.isclose(dos_params['DOS']['Emax'], expected_p_dos_inputs[1]) + assert np.isclose(projwfc_params['PROJWFC']['Emin'], expected_p_dos_inputs[0]) + assert np.isclose(projwfc_params['PROJWFC']['Emax'], expected_p_dos_inputs[1]) @pytest.mark.parametrize(