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update: rename function
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VsevolodX committed Sep 10, 2024
1 parent 8da0d5e commit 3e89a8f
Showing 1 changed file with 2 additions and 3 deletions.
5 changes: 2 additions & 3 deletions src/py/mat3ra/made/tools/build/passivation/builders.py
Original file line number Diff line number Diff line change
Expand Up @@ -197,9 +197,9 @@ def _get_passivant_coordinates(

return passivant_coordinates

def get_coordination_numbers(self, material: Material):
def get_unique_coordination_numbers(self, material: Material):
"""
Get the coordination numbers for all atoms in the material.
Get unique coordination numbers for all atoms in the material for current builder parameters.
Args:
material (Material): The material object.
Expand All @@ -211,5 +211,4 @@ def get_coordination_numbers(self, material: Material):
coordination_numbers = set(
get_coordination_numbers(material=material, cutoff=self.build_parameters.shadowing_radius)
)
print("coordination numbers:", coordination_numbers)
return coordination_numbers

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