Fix utils import and testing

nomad-coe · Apr 11, 2024 · 2b14d53 · 2b14d53
1 parent a8a5160
commit 2b14d53
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Showing 2 changed files with 8 additions and 6 deletions.
diff --git a/src/nomad_simulations/utils/utils.py b/src/nomad_simulations/utils/utils.py
@@ -22,7 +22,6 @@
 from structlog.stdlib import BoundLogger
 
 from nomad.datamodel.data import ArchiveSection
-from nomad.datamodel import EntryArchive
 
 
 def get_sibling_section(

diff --git a/tests/test_atoms_state.py b/tests/test_atoms_state.py
@@ -284,9 +284,11 @@ def test_u_interactions(
             assert np.isclose(u_interorbital_interaction.to('eV').magnitude, results[1])
             assert np.isclose(j_hunds_coupling.to('eV').magnitude, results[2])
         else:
-            assert np.isclose(u_interaction, results[0])
-            assert np.isclose(u_interorbital_interaction, results[1])
-            assert np.isclose(j_hunds_coupling, results[2])
+            assert (
+                u_interaction,
+                u_interorbital_interaction,
+                j_hunds_coupling,
+            ) == results
 
     @pytest.mark.parametrize(
         'u_interaction, j_local_exchange_interaction, u_effective',
@@ -318,8 +320,9 @@ def test_u_effective(
         # Resolving Ueff from class method
         resolved_u_effective = hubbard_interactions.resolve_u_effective(logger)
         if resolved_u_effective is not None:
-            resolved_u_effective = resolved_u_effective.to('eV').magnitude
-        assert np.isclose(resolved_u_effective, u_effective)
+            assert np.isclose(resolved_u_effective.to('eV').magnitude, u_effective)
+        else:
+            assert resolved_u_effective == u_effective
 
     def test_normalize(self):
         """