Update test_ase_interface.py

pyiron · Apr 23, 2024 · 26c0a10 · 26c0a10
1 parent 9933b88
commit 26c0a10
Showing 1 changed file with 5 additions and 5 deletions.
diff --git a/tests/test_ase_interface.py b/tests/test_ase_interface.py
@@ -138,10 +138,10 @@ def test_unfolding_prism_cubic(self):
 
     def test_unfolding_prism_skewed(self):
         prism = UnfoldingPrism(self.structure_skewed.cell.array)
-        self.assertEqual(
-            prism.get_lammps_prism_str(),
-            ('5.7275649276', '4.9602167291', '4.6765371804', '2.8637824638', '2.8637824638', '1.6534055764')
-        )
+        self.assertTrue(np.all(np.isclose(
+            [np.abs(float(s)) for s in prism.get_lammps_prism_str()],
+            [5.7275649276, 4.9602167291, 4.6765371804, 2.8637824638, 2.8637824638, 1.6534055764]
+        )))
         self.assertTrue(np.all(np.isclose(prism.pos_to_lammps(position=[[1.0, 1.0, 1.0]]), np.array([1.41421356, 0.81649658, 0.57735027]))))
 
 
@@ -206,4 +206,4 @@ def test_selective_dynamics_wrong_plane(self):
             [2, 1, 0],
         ))
         with self.assertRaises(ValueError):
-            set_selective_dynamics(structure=atoms, calc_md=False)
+            set_selective_dynamics(structure=atoms, calc_md=False)