Add test for coverage

dftd3 · Dec 14, 2023 · 56a43c2 · 56a43c2
1 parent 14ff564
commit 56a43c2
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Showing 2 changed files with 6 additions and 3 deletions.
diff --git a/tests/test_dftd3.py b/tests/test_dftd3.py
@@ -39,7 +39,7 @@ def test_fail() -> None:
         "a2": torch.tensor(4.5865),
     }
 
-    # r4r2 wrong shape
+    # unsupported element
     with pytest.raises(ValueError):
         numbers = torch.tensor([1, 105])
         dftd3(numbers, positions, param)

diff --git a/tests/test_disp.py b/tests/test_disp.py
@@ -54,8 +54,11 @@ def test_fail() -> None:
 
     # wrong numbers
     with pytest.raises(ValueError):
-        numbers = torch.tensor([1])
-        disp.dispersion(numbers, positions, param, c6)
+        disp.dispersion(torch.tensor([1]), positions, param, c6)
+
+    # unsupported element
+    with pytest.raises(ValueError):
+        disp.dispersion(torch.tensor([1, 105]), positions, param, c6)
 
 
 @pytest.mark.parametrize("dtype", [torch.float, torch.double])