update: add set coordintes as a method

Exabyte-io · Aug 7, 2024 · 963822a · 963822a
1 parent f84e873
commit 963822a
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Showing 2 changed files with 7 additions and 10 deletions.
diff --git a/src/py/mat3ra/made/material.py b/src/py/mat3ra/made/material.py
@@ -90,3 +90,8 @@ def to_crystal(self) -> None:
         new_basis = self.basis.copy()
         new_basis.to_crystal()
         self.basis = new_basis
+
+    def set_coordinates(self, coordinates: List[List[float]]) -> None:
+        new_basis = self.basis.copy()
+        new_basis.coordinates.values = coordinates
+        self.basis = new_basis
diff --git a/src/py/mat3ra/made/tools/build/perturbation/builders.py b/src/py/mat3ra/made/tools/build/perturbation/builders.py
@@ -20,14 +20,6 @@ def _prepare_material(configuration: _ConfigurationType) -> _GeneratedItemType:
             new_material.to_cartesian()
         return new_material
 
-    @staticmethod
-    def _set_new_coordinates(new_material: Material, new_coordinates: List[List[float]]) -> Material:
-        new_basis = new_material.basis.copy()
-        new_basis.coordinates.values = new_coordinates
-        new_basis.to_crystal()
-        new_material.basis = new_basis
-        return new_material
-
     def _generate(self, configuration: _ConfigurationType) -> List[_GeneratedItemType]:
         """Generate materials with applied continuous perturbation based on the given configuration."""
         new_material = self.create_perturbed_slab(configuration)
@@ -53,7 +45,7 @@ def create_perturbed_slab(self, configuration: PerturbationConfiguration) -> Mat
             configuration.perturbation_function_holder.apply_perturbation(coord)
             for coord in new_material.basis.coordinates.values
         ]
-        new_material = self._set_new_coordinates(new_material, new_coordinates)
+        new_material.set_coordinates(new_coordinates)
         return new_material
 
 
@@ -67,7 +59,7 @@ def create_perturbed_slab(self, configuration: PerturbationConfiguration) -> Mat
         new_coordinates = [
             configuration.perturbation_function_holder.apply_perturbation(coord) for coord in new_coordinates
         ]
-        new_material = self._set_new_coordinates(new_material, new_coordinates)
+        new_material.set_coordinates(new_coordinates)
         return new_material