fix test to check for imposible boxes

glotzerlab · Apr 23, 2024 · d78e08e · d78e08e
1 parent b51d8d7
commit d78e08e
Showing 1 changed file with 29 additions and 10 deletions.
diff --git a/tests/test_box_Box.py b/tests/test_box_Box.py
@@ -501,16 +501,35 @@ def test_to_and_from_box_lengths_and_angles(self):
             np.random.uniform(0, np.pi),
             np.random.uniform(0, np.pi),
         )
-        box = freud.box.Box.from_box_lengths_and_angles(
-            *original_box_lengths_and_angles
-        )
-        lengths_and_angles_computed = box.to_box_lengths_and_angles()
-        np.testing.assert_allclose(
-            lengths_and_angles_computed,
-            original_box_lengths_and_angles,
-            rtol=1e-6,
-            atol=1e-14,
-        )
+        if (
+            1
+            - np.cos(original_box_lengths_and_angles[4]) ** 2
+            - (
+                (
+                    np.cos(original_box_lengths_and_angles[3])
+                    - np.cos(original_box_lengths_and_angles[4])
+                    * np.cos(original_box_lengths_and_angles[5])
+                )
+                / np.sin(original_box_lengths_and_angles[5])
+            )
+            ** 2
+            < 0
+        ):
+            with pytest.raises(ValueError):
+                freud.box.Box.from_box_lengths_and_angles(
+                    *original_box_lengths_and_angles
+                )
+        else:
+            box = freud.box.Box.from_box_lengths_and_angles(
+                *original_box_lengths_and_angles
+            )
+            lengths_and_angles_computed = box.to_box_lengths_and_angles()
+            np.testing.assert_allclose(
+                lengths_and_angles_computed,
+                original_box_lengths_and_angles,
+                rtol=1e-6,
+                atol=1e-14,
+            )
 
     def test_matrix(self):
         box = freud.box.Box(2, 2, 2, 1, 0.5, 0.1)