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[codex] Add tests for biopython utilities#1

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congliuUvA:mainfrom
Novel-Therapeutics:codex/add-biopython-utils-tests
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[codex] Add tests for biopython utilities#1
volgin wants to merge 1 commit into
congliuUvA:mainfrom
Novel-Therapeutics:codex/add-biopython-utils-tests

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@volgin

@volgin volgin commented Jun 19, 2026

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Summary

Adds a lightweight pytest suite for the pure helper functions in protdbench/tools/biopython_utils.py.

The tests cover sequence validation notes, interface residue formatting, CA clash detection, hotspot residue detection, target RMSD, and secondary-structure percentage arithmetic. They use small synthetic PDB fixtures so they run without GPUs or external structure-prediction tools.

This PR also adds pytest.ini and requirements-dev.txt for the CPU-only test dependencies. It intentionally does not add a GitHub Actions workflow, leaving CI wiring to the maintainers.

Validation

  • python3 -m pytest -ra
  • git diff --check upstream/main...HEAD

@volgin volgin marked this pull request as ready for review June 19, 2026 23:20
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