move error check to new test

cmelab · Dec 19, 2023 · 9cff1f1 · 9cff1f1
1 parent bf87674
commit 9cff1f1
Showing 1 changed file with 5 additions and 4 deletions.
diff --git a/cmeutils/tests/test_geometry.py b/cmeutils/tests/test_geometry.py
@@ -17,10 +17,6 @@
 
 class TestGeometry(BaseTest):
     def test_backbone_vector(self):
-        with pytest.raises(ValueError):
-            coordinates = np.array([1, 1, 1])
-            get_backbone_vector(coordinates)
-
         z_coords = np.array([[0, 0, 1], [0, 0, 2], [0, 0, 3]])
         backbone = get_backbone_vector(z_coords)
         assert np.allclose(backbone, np.array([0, 0, 1]), atol=1e-5)
@@ -33,6 +29,11 @@ def test_backbone_vector(self):
         chain_backbone = get_backbone_vector(mb_chain.xyz)
         assert np.allclose(chain_backbone, np.array([0, 1, 0]), atol=1e-2)
 
+    def test_backbone_vector_bad_input(self):
+        with pytest.raises(ValueError):
+            coordinates = np.array([1, 1, 1])
+            get_backbone_vector(coordinates)
+
     def test_moit(self):
         _moit = moit(points=[(-1, 0, 0), (1, 0, 0)], masses=[1, 1])
         assert np.array_equal(_moit, np.array([0, 2.0, 2.0]))