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Expose C distance backend in libmdanalysis.pxd #4342

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merged 3 commits into from
Nov 11, 2023

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@hmacdope hmacdope commented Nov 11, 2023

Fixes #4315

Changes made in this Pull Request:

  • Refactors C distances to use a PXD
  • Expose in libmdanalysis.pxd

PR Checklist

  • CHANGELOG updated?
  • Issue raised/referenced?

Developers certificate of origin


📚 Documentation preview 📚: https://mdanalysis--4342.org.readthedocs.build/en/4342/

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github-actions bot commented Nov 11, 2023

Linter Bot Results:

Hi @hmacdope! Thanks for making this PR. We linted your code and found the following:

There are currently no issues detected! 🎉

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codecov bot commented Nov 11, 2023

Codecov Report

All modified and coverable lines are covered by tests ✅

Comparison is base (5fa0d27) 93.37% compared to head (baac678) 93.36%.
Report is 7 commits behind head on develop.

Additional details and impacted files
@@             Coverage Diff             @@
##           develop    #4342      +/-   ##
===========================================
- Coverage    93.37%   93.36%   -0.01%     
===========================================
  Files          170      184      +14     
  Lines        22295    23433    +1138     
  Branches      4075     4079       +4     
===========================================
+ Hits         20818    21879    +1061     
- Misses         962     1036      +74     
- Partials       515      518       +3     

see 20 files with indirect coverage changes

☔ View full report in Codecov by Sentry.
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@IAlibay IAlibay left a comment

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Thanks @hmacdope.

Only question here is docs - do we have an rst stub or anything where we can document these things? It feels like a loss to have this all be exposed internally but without any information that it exists.

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@IAlibay good point i'll add a docs page

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IAlibay commented Nov 11, 2023

/azp run

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Azure Pipelines successfully started running 1 pipeline(s).

@hmacdope
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@IAlibay turns out we do have a short bit of docs that covers this

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IAlibay commented Nov 11, 2023

@IAlibay turns out we do have a short bit of docs that covers this

Thanks for checking, anything that needs updating there for this change?

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@IAlibay turns out we do have a short bit of docs that covers this

Thanks for checking, anything that needs updating there for this change?

Ah sorry I'm blind, fixed now.

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Cheers!

@hmacdope hmacdope merged commit f4005db into MDAnalysis:develop Nov 11, 2023
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Expose c_distances backend at cython level in libmdanalysis.pxd
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