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Fix #4731 #4837

Merged
merged 4 commits into from
Dec 16, 2024
Merged

Fix #4731 #4837

merged 4 commits into from
Dec 16, 2024

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tanishy7777
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@tanishy7777 tanishy7777 commented Dec 15, 2024

Doc fix for self_distance_array()

Fixes #4731

Changes made in this Pull Request:

  • Added the increment after the update
 for i in range(n):
    for j in range(i + 1, n):
-        k += 1
-        dist[i, j] = d[k]
+       dist[i, j] = dist[j, i] = d[k]
+       k += 1

PR Checklist

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

Developers certificate of origin


📚 Documentation preview 📚: https://mdanalysis--4837.org.readthedocs.build/en/4837/

Doc fix for self_distance_array()
@pep8speaks
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pep8speaks commented Dec 15, 2024

Hello @tanishy7777! Thanks for updating this PR. We checked the lines you've touched for PEP 8 issues, and found:

Line 406:1: W293 blank line contains whitespace

Comment last updated at 2024-12-16 07:50:55 UTC

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codecov bot commented Dec 15, 2024

Codecov Report

All modified and coverable lines are covered by tests ✅

Project coverage is 93.63%. Comparing base (7f686ca) to head (349d6b5).
Report is 1 commits behind head on develop.

Additional details and impacted files
@@             Coverage Diff             @@
##           develop    #4837      +/-   ##
===========================================
- Coverage    93.65%   93.63%   -0.03%     
===========================================
  Files          177      189      +12     
  Lines        21767    22833    +1066     
  Branches      3065     3065              
===========================================
+ Hits         20386    21379     +993     
- Misses         929     1002      +73     
  Partials       452      452              

☔ View full report in Codecov by Sentry.
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@RMeli
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RMeli commented Dec 16, 2024

Thanks @tanishy7777

@RMeli RMeli merged commit 80b28c8 into MDAnalysis:develop Dec 16, 2024
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Successfully merging this pull request may close these issues.

Documentation for reconstructing square distance matrix from self_distance_array is incorrect.
3 participants