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⚡ Bolt: [performance improvement] optimize DataFrame iteration in verify_processed_omol25.py#72

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bolt-performance-improvement-verify-processed-omol25-5705054899208680353
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⚡ Bolt: [performance improvement] optimize DataFrame iteration in verify_processed_omol25.py#72
alinelena wants to merge 1 commit into
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bolt-performance-improvement-verify-processed-omol25-5705054899208680353

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💡 What: Replaced df.iterrows() with df.to_dict('records') in src/lavello_mlips/verify_processed_omol25.py, updating downstream data access since row items are now native dictionaries. Added explanatory comments.

🎯 Why: df.iterrows() is an anti-pattern in Pandas because it incurs massive overhead by creating a new Series object for every single row. For large datasets like those found in Parquet metadata, this becomes a severe bottleneck.

📊 Impact: This optimization significantly speeds up the verification pipeline—iterating over a list of dicts is often 10x–100x faster than using df.iterrows().

🔬 Measurement: Execute python -m pytest tests/test_verify_processed_omol25.py to confirm functionality works as expected. Measure execution time with a large sample parquet file before and after this change.


PR created automatically by Jules for task 5705054899208680353 started by @alinelena

Replace `df.iterrows()` with `df.to_dict('records')` to significantly speed up DataFrame iteration, eliminating the overhead of Pandas creating a Series object for each row. Update downstream variables to reflect that row items are now native Python dicts rather than Pandas Series objects. Added inline comments to explain the rationale.

Co-authored-by: alinelena <3306823+alinelena@users.noreply.github.com>
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