update/SOF 7456

src/py/mat3ra/standata/base.py

@@ -220,3 +220,25 @@ def get_by_categories(cls, *tags: str) -> List[dict]:
         categories = cls.data.standataConfig.convert_tags_to_categories_list(*tags)
         matching_filenames = cls.data.standataConfig.get_filenames_by_categories(*categories)
         return cls.data.filesMapByName.get_objects_by_filenames(matching_filenames)
+
+    @classmethod
+    def get_by_name_and_categories(cls, name: str, *tags: str) -> dict:
+        """
+        Returns the first entity that matches both the name regex and all categories.
+
+        Args:
+            name: Name to match with regex
+            *tags: Category tags to match
+
+        Returns:
+            First matching entity
+        """
+        categories = cls.data.standataConfig.convert_tags_to_categories_list(*tags)
+        category_matches = cls.data.standataConfig.get_filenames_by_categories(*categories)
+        name_matches = cls.data.standataConfig.get_filenames_by_regex(name)
+        matching_filenames = [f for f in name_matches if f in category_matches]
+
+        if not matching_filenames:
+            raise ValueError(f"No matches found for name '{name}' and categories {tags}")
+
+        return cls.data.filesMapByName.get_objects_by_filenames(matching_filenames)[0]

tests/py/unit/test_materials_data.py

@@ -18,23 +18,27 @@ def test_categories_data():
 
 
 def test_get_by_name():
-    """Assert correct information if found about a material."""
     material = Materials.get_by_name_first_match("Graphene")
     assert type(material) == dict
     assert material["name"] == "C, Graphene, HEX (P6/mmm) 2D (Monolayer), 2dm-3993"
     assert material["isNonPeriodic"] is False
 
 
 def test_get_by_categories():
-    """Assert correct information if found about a material."""
     material = Materials.get_by_categories("2D")
     assert isinstance(material, list)
     assert material[0]["name"] == "C, Graphene, HEX (P6/mmm) 2D (Monolayer), 2dm-3993"
 
 
 def test_get_material_data():
-    """Assert correct information if found about a material."""
     material = materials_data["filesMapByName"]["C-[Graphene]-HEX_[P6%2Fmmm]_2D_[Monolayer]-[2dm-3993].json"]
     assert type(material) == dict
     assert material["name"] == "C, Graphene, HEX (P6/mmm) 2D (Monolayer), 2dm-3993"
     assert material["isNonPeriodic"] is False
+
+
+def test_get_by_name_and_categories():
+    material = Materials.get_by_name_and_categories("MoS2", "2D")
+    assert type(material) == dict
+    assert material["name"] == "MoS2, Molybdenum Disulfide, HEX (P-6m2) 2D (Monolayer), 2dm-3150"
+    assert material["isNonPeriodic"] is False