Fixed the unit test for compute_angle

wehs7661 · Sep 11, 2024 · b6d5fe1 · b6d5fe1
1 parent b77ab14
commit b6d5fe1
Showing 1 changed file with 3 additions and 3 deletions.
diff --git a/ensemble_md/tests/test_coordinate_swap.py b/ensemble_md/tests/test_coordinate_swap.py
@@ -50,6 +50,6 @@ def test_compute_angle():
     coords_2 = coords_1[-1::-1]
     coords_3 = [coords_1[1], coords_1[0], coords_1[2]]
 
-    assert np.isclose(coordinate_swap.compute_angle(coords_1), np.sqrt(2) / 2)
-    assert np.isclose(coordinate_swap.compute_angle(coords_2), np.sqrt(2) / 2)
-    assert np.isclose(coordinate_swap.compute_angle(coords_3), 0)
+    assert np.isclose(coordinate_swap.compute_angle(coords_1), np.pi / 4)
+    assert np.isclose(coordinate_swap.compute_angle(coords_2), np.pi / 4)
+    assert np.isclose(coordinate_swap.compute_angle(coords_3), np.pi / 2)