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Calc_dihedral docstring updated #3956

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Merged
merged 3 commits into from
Dec 11, 2022

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Hakarishirenai
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@Hakarishirenai Hakarishirenai commented Dec 8, 2022

Fixes #3936

Changes made in this Pull Request:

PR Checklist

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

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codecov bot commented Dec 8, 2022

Codecov Report

Base: 94.38% // Head: 94.27% // Decreases project coverage by -0.11% ⚠️

Coverage data is based on head (9f20503) compared to base (a05a524).
Patch has no changes to coverable lines.

Additional details and impacted files
@@             Coverage Diff             @@
##           develop    #3956      +/-   ##
===========================================
- Coverage    94.38%   94.27%   -0.12%     
===========================================
  Files          194      194              
  Lines        25248    25248              
  Branches      3493     3493              
===========================================
- Hits         23831    23802      -29     
- Misses        1368     1397      +29     
  Partials        49       49              
Impacted Files Coverage Δ
package/MDAnalysis/lib/distances.py 98.51% <ø> (ø)
package/MDAnalysis/due.py 46.66% <0.00%> (-30.00%) ⬇️
package/MDAnalysis/coordinates/chemfiles.py 92.30% <0.00%> (-4.95%) ⬇️
package/MDAnalysis/coordinates/H5MD.py 95.94% <0.00%> (-1.68%) ⬇️
package/MDAnalysis/converters/ParmEdParser.py 96.89% <0.00%> (-1.56%) ⬇️
package/MDAnalysis/converters/ParmEd.py 91.95% <0.00%> (-1.15%) ⬇️

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Thank you. Please address my comments.

Please also

  • add yourself to AUTHORS
  • add your GitHub handle to CHANGELOG for 2.4.0 at the end of
    ??/??/?? IAlibay, Luthaf, hmacdope, rafaelpap, jbarnoud, BFedder, aya9aladdin,
    jaclark5, jfennick, lilyminium
    (we don't need a CHANGELOG entry for a simple doc fix but you should be listed as contributing to the next release)

@orbeckst orbeckst self-assigned this Dec 8, 2022
@orbeckst orbeckst added this to the 2.4.0 milestone Dec 8, 2022
@Hakarishirenai
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Thank you for the help, have made necessary changes

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Thank you @Hakarishirenai , I'll have a look again when the CI check have run. But it's looking very good at first glance.

As a new contributor, please also introduce yourself on the developer mailing list (see https://www.mdanalysis.org/#participating for the link) and mention your work on this PR. It's important that we have an email address where we can reach you because of our ongoing effort to change the license of MDAnalysis. We will not merge this PR until we know how we can contact you in the future.

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orbeckst commented Dec 11, 2022

Thank you for introducing yourself https://groups.google.com/g/mdnalysis-devel/c/CjIST5IkZyM/m/Xtcn3D_rAAAJ . I'll merge.

@orbeckst orbeckst merged commit 526cdd5 into MDAnalysis:develop Dec 11, 2022
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Thank you for your first commit! 🚀

@Hakarishirenai Hakarishirenai deleted the dihedral-docstring branch December 21, 2022 13:19
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update docs for calc_dihedral to indicate output range
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