add test for non-numerical warning

materialsproject · Nov 26, 2024 · dd1b338 · dd1b338
1 parent 13e58d6
commit dd1b338
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Showing 2 changed files with 6 additions and 1 deletion.
diff --git a/src/pymatgen/core/structure.py b/src/pymatgen/core/structure.py
@@ -4769,7 +4769,7 @@ def merge_sites(
                             props[key] = props[key] * (n + 1) / (n + 2) + self[i].properties[key] / (n + 2)
                         else:
                             props[key] = None
-                            warnings.warn(  # TODO: test missing
+                            warnings.warn(
                                 f"Sites with different site property {key} are merged. But property is set to None",
                                 stacklevel=2,
                             )

diff --git a/tests/core/test_structure.py b/tests/core/test_structure.py
@@ -1685,6 +1685,11 @@ def test_merge_sites(self):
         assert len(struct_navs2) == 12
         assert any(math.isclose(site.properties["prop1"], 51.5) for site in struct_navs2)
 
+        # Test non-numerical property warning
+        struct_navs2.insert(0, "Na", coords[0], properties={"prop1": "hi"})
+        with pytest.warns(UserWarning, match="But property is set to None"):
+            struct_navs2.merge_sites(mode="average")
+
         # Test property handling for np.array (selective dynamics)
         poscar_str_0 = """Test POSCAR
 1.0