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@Chinmayykashyap-git Chinmayykashyap-git commented Jan 28, 2026

Summary

This PR introduces a minimal, opt-in performance timing framework for AnalysisBase.run() using time.perf_counter.

Timing is disabled by default and can be enabled via run(enable_timing=True). Collected timing data is exposed via a dedicated analysis.performance attribute.

Changes

  • Added enable_timing flag to AnalysisBase.run()
  • Recorded structured timing for:
    • prepare
    • per-frame iteration
    • total
  • Added basic test coverage validating opt-in behavior and timing structure

This implementation is intentionally lightweight and designed to be extensible to parallel-aware timing in future work.


📚 Documentation preview 📚: https://mdanalysis--5216.org.readthedocs.build/en/5216/

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Hello there first time contributor! Welcome to the MDAnalysis community! We ask that all contributors abide by our Code of Conduct and that first time contributors introduce themselves on GitHub Discussions so we can get to know you. You can learn more about participating here. Please also add yourself to package/AUTHORS as part of this PR.

@IAlibay
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IAlibay commented Jan 28, 2026

@Chinmayykashyap-git you deleted the AI disclosure part of the template - can you please detail if you used any AI assistance as part of this PR?

@Chinmayykashyap-git
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@IAlibay
Thanks for pointing it out.
This PR was implemented without AI assistance , strictly following the contribution guidelines. The missing disclosure section was an oversight on my part, and I’ll add it back to the template.

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2 participants