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fix deduplicate_structures call
1 parent f4526fe commit 13b7366

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src/fairchem/applications/fastcsp/core/workflow/process_generated.py

Lines changed: 5 additions & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -235,7 +235,11 @@ def process_genarris_outputs_single(
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structures_df = pd.DataFrame(all_rows)
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structures_df = deduplicate_structures(
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structures_df, remove_duplicates, ltol, stol, angle_tol
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structures_df,
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remove_duplicates,
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ltol=ltol,
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stol=stol,
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angle_tol=angle_tol,
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)
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structures_df = structures_df.drop(columns=["structure"])
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structures_df.to_parquet(

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