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⚡ Bolt: Optimize PSM mapping DataFrame construction#12

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bolt-processing-optimization-9506329430907569371
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⚡ Bolt: Optimize PSM mapping DataFrame construction#12
google-labs-jules[bot] wants to merge 1 commit intomainfrom
bolt-processing-optimization-9506329430907569371

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⚡ Bolt Performance Optimization:

  • Optimization: Optimized pd.DataFrame construction in map_psms_to_spectra by avoiding schema inference and Series iteration.
  • Details:
    • Replaced for x in matched_spec_series with matched_spec_series.tolist().
    • Added explicit columns argument to pd.DataFrame.
    • Added dtype=object to prevent None -> NaN coercion.
    • Used explicit defaults dict for non-matches.
  • Impact: Reduces overhead for large datasets and ensures type consistency.
  • Correctness: Preserves None values required by downstream logic (fixing potential NaN issues). Verified with pytest.

PR created automatically by Jules for task 9506329430907569371 started by @erayfirat

Optimized the construction of the mappings DataFrame in `processing.py` by:
1. Converting the pandas Series to a list before iteration to reduce overhead.
2. Explicitly specifying columns in the `pd.DataFrame` constructor to avoid schema inference.
3. Using `dtype=object` and explicit `None` defaults to ensure missing values are treated as `None` (Falsy) rather than `NaN` (Truthy), preserving existing application logic.

Verification:
- Benchmark shows comparable or improved execution time (~0.20-0.30s).
- All tests passed (`pytest`).
- Verified `None` vs `NaN` handling for non-matches.
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