⚡ Bolt: Optimize Pandas DataFrame iteration in verification script#88
⚡ Bolt: Optimize Pandas DataFrame iteration in verification script#88alinelena wants to merge 1 commit into
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Replaced the slow `df.iterrows()` iteration over a Pandas DataFrame with
the much faster `df.to_dict('records')` approach in
`src/lavello_mlips/verify_processed_omol25.py`. Also updated downstream
usage from `row.to_dict()` to `dict(row)` since the rows are now native
Python dictionaries instead of Pandas Series objects.
Co-authored-by: alinelena <3306823+alinelena@users.noreply.github.com>
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💡 What: Replaced the slow
df.iterrows()iteration over a Pandas DataFrame with the much fasterdf.to_dict('records')approach insrc/lavello_mlips/verify_processed_omol25.py. Also updated downstream usage fromrow.to_dict()todict(row)since the rows are now native Python dictionaries instead of Pandas Series objects.🎯 Why: Iterating over Pandas DataFrames using
iterrows()is notoriously slow due to the overhead of creating Series objects for each row.📊 Impact: Significantly speeds up the row processing loop during property validation of Parquet files against ExtXYZ files.
🔬 Measurement: Run
python -m pytest tests/to verify that no functional regressions have been introduced.PR created automatically by Jules for task 17542885594803547960 started by @alinelena