⚡ Bolt: [performance improvement] optimize DataFrame iteration in verify utility#80
⚡ Bolt: [performance improvement] optimize DataFrame iteration in verify utility#80alinelena wants to merge 1 commit into
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Replaced slow `df.iterrows()` with `df.to_dict("records")` in `verify_processed_omol25.py` to significantly speed up property checking and cross-referencing against Parquet files. Updated the downstream helper `get_dump_entry` to directly use native python dictionaries.
Co-authored-by: alinelena <3306823+alinelena@users.noreply.github.com>
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💡 What: Replaced slow
df.iterrows()loop with C-optimizeddf.to_dict("records")when building cross-reference dictionaries for Parquet validation.🎯 Why:
df.iterrows()is an anti-pattern that creates a new Pandas Series object for every row, making iteration across large omol-25 datasets significantly slow.📊 Impact: Converting to native Python dicts upfront and iterating them reduces overall processing overhead, improving speed and drastically decreasing memory allocation per row during iteration.
🔬 Measurement: Run
python -m pytest tests/test_verify_processed_omol25.pyand verify all tests pass smoothly. Optionally execute the utility on a large Parquet/XYZ pair and compare execution times.PR created automatically by Jules for task 13598759025420501430 started by @alinelena