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Fix warnings #766

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Merged
lilyminium merged 1 commit into from
Apr 8, 2026
Merged

Fix warnings #766

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4 changes: 2 additions & 2 deletions openff/evaluator/datasets/curation/components/selection.py
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Original file line number Diff line number Diff line change
Expand Up @@ -585,12 +585,12 @@ def _select_substance_data_points(cls, original_data_frame, target_state):
as_index=False,
).agg({"Property Type": pandas.Series.nunique})

selected_data = [False] * len(data_frame)
selected_data = pandas.Series(False, index=data_frame.index)

for cluster_index in range(len(target_state.states)):
# Calculate the distance between each clustered state and
# the center of the cluster (i.e the clustered state).
cluster_data = grouped_data[grouped_data["Cluster"] == cluster_index]
cluster_data = grouped_data[grouped_data["Cluster"] == cluster_index].copy()
cluster_data["Distance"] = cls._distances_to_state(
cluster_data, target_state.states[cluster_index]
)
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