chore: cleanups

src/py/mat3ra/made/tools/build/interface/builders.py

@@ -248,7 +248,16 @@ def _update_material_name(
 
 
 class CommensurateLatticeInterfaceBuilderParameters(BaseModel):
-    max_search: int = 10
+    """
+    Parameters for the commensurate lattice interface builder.
+
+    Args:
+        max_repetition_int (int): The maximum search range for commensurate lattices.
+        angle_tolerance (float): The tolerance for the angle between the commensurate lattice and the target angle.
+        return_first_match (bool): Whether to return the first match or all matches.
+    """
+
+    max_repetition_int: int = 10
     angle_tolerance: float = 0.1
     return_first_match: bool = False
 
@@ -260,7 +269,7 @@ class CommensurateLatticeInterfaceBuilder(BaseBuilder):
     def _generate(self, configuration: _ConfigurationType) -> List[_GeneratedItemType]:
         film = configuration.film
         # substrate = configuration.substrate
-        max_search = self.build_parameters.max_search
+        max_search = self.build_parameters.max_repetition_int
         a = film.lattice.vector_arrays[0][:2]
         b = film.lattice.vector_arrays[1][:2]
         commensurate_lattice_pairs = self.__generate_commensurate_lattices(
@@ -332,9 +341,6 @@ def _post_process(
             new_film = translate_by_vector(
                 new_film, [0, 0, item.configuration.distance_z], use_cartesian_coordinates=True
             )
-            try:
-                interface = merge_materials([new_substrate, new_film])
-                interfaces.append(interface)
-            except Exception as e:
-                print(e)
+            interface = merge_materials([new_substrate, new_film])
+            interfaces.append(interface)
         return interfaces

src/py/mat3ra/made/utils.py

@@ -80,6 +80,11 @@ def get_overlapping_coordinates(
 def create_2d_supercell_matrices(max_search: int) -> List[np.ndarray]:
     """
     Create a list of 2D supercell matrices within a maximum search range.
+
+    Filtering conditions:
+    - Non-zero area constraint
+    - Positive determinant (to exclude mirroring transformations)
+
     Args:
         max_search: The maximum search range.
     Returns:
@@ -90,7 +95,6 @@ def create_2d_supercell_matrices(max_search: int) -> List[np.ndarray]:
         for s12 in range(-max_search, max_search + 1):
             for s21 in range(-max_search, max_search + 1):
                 for s22 in range(-max_search, max_search + 1):
-                    # Non-zero area constraint
                     matrix = np.array([[s11, s12], [s21, s22]])
                     determinant = np.linalg.det(matrix)
                     if determinant == 0 or determinant < 0: