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update: fix coordinataion number return
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VsevolodX committed Dec 3, 2024
1 parent 786b5db commit 62ed7ea
Showing 1 changed file with 2 additions and 2 deletions.
4 changes: 2 additions & 2 deletions src/py/mat3ra/made/tools/analyze.py
Original file line number Diff line number Diff line change
Expand Up @@ -512,8 +512,8 @@ def get_coordination_numbers(
"""
nearest_neighbors_vectors = get_nearest_neighbors_vectors(material, indices, cutoff, nearest_only)
coordination_numbers = ArrayWithIds()
for idx, neighbors in nearest_neighbors_vectors.to_array_of_values_with_ids():
coordination_numbers.add_item(len(neighbors), idx)
for value_with_id in nearest_neighbors_vectors.to_array_of_values_with_ids():
coordination_numbers.add_item(len(value_with_id.value), value_with_id.id)
return coordination_numbers


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