update: fix imports and functions

Exabyte-io · Dec 8, 2024 · 6fcd6ff · 6fcd6ff
1 parent d167d52
commit 6fcd6ff
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Showing 2 changed files with 4 additions and 2 deletions.
diff --git a/src/py/mat3ra/made/tools/build/passivation/__init__.py b/src/py/mat3ra/made/tools/build/passivation/__init__.py
@@ -9,6 +9,7 @@
     SurfacePassivationBuilderParameters,
     CoordinationBasedPassivationBuilderParameters,
 )
+from ...analyze.coordination import MaterialWithCrystalSites
 
 
 def create_passivation(
@@ -33,4 +34,5 @@ def get_unique_coordination_numbers(
     Returns:
         set: The unique coordination numbers.
     """
-    return coordination.get_unique_coordination_numbers(material=configuration.slab, cutoff=cutoff)
+    material_with_crystal_sites = MaterialWithCrystalSites.from_material(configuration.slab)
+    return coordination.get_unique_coordination_numbers(material=material_with_crystal_sites, cutoff=cutoff)
diff --git a/src/py/mat3ra/made/tools/build/passivation/builders.py b/src/py/mat3ra/made/tools/build/passivation/builders.py
@@ -172,7 +172,7 @@ def create_passivated_material(self, configuration: PassivationConfiguration) ->
         material_with_crystal_sites = MaterialWithCrystalSites.from_material(material)
 
         undercoordinated_atoms_indices = coordination.get_undercoordinated_atom_indices(
-            material,
+            material_with_crystal_sites,
             cutoff=self.build_parameters.shadowing_radius,
             coordination_threshold=self.build_parameters.coordination_threshold,
         )