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Add docs for libmdanalysis #3922

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merged 5 commits into from
Nov 19, 2022

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hmacdope
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Fixes #3921

Changes made in this Pull Request:

  • Adds a documentation section for libmdanalysis

PR Checklist

  • Docs?
  • CHANGELOG updated?
  • Issue raised/referenced?

@hmacdope hmacdope marked this pull request as ready for review November 13, 2022 23:36
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codecov bot commented Nov 13, 2022

Codecov Report

Base: 94.36% // Head: 94.36% // No change to project coverage 👍

Coverage data is based on head (de3e18b) compared to base (fc9dee0).
Patch has no changes to coverable lines.

Additional details and impacted files
@@           Coverage Diff            @@
##           develop    #3922   +/-   ##
========================================
  Coverage    94.36%   94.36%           
========================================
  Files          194      194           
  Lines        25109    25109           
  Branches      3398     3398           
========================================
  Hits         23694    23694           
  Misses        1366     1366           
  Partials        49       49           

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@orbeckst orbeckst left a comment

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Could you show a simple example for how the header is imported and how something in it is used (e.g., instantiate a Timestep)?

Is there a way to generate a list of publicly defined objects? If we cannot generate such a list automatically, could you mention the most important ones (i.e., Timestep at the moment as far as I can tell) and then say something along the lines "for details consult the source file" (and perhaps link to MDAnalysis/lib/libmdanalysis/init.pxd.

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@orbeckst orbeckst left a comment

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lgtm, just making two changes

@hmacdope hmacdope merged commit 497f45e into MDAnalysis:develop Nov 19, 2022
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Document libmdanalysis cython header.
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