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Fix doctest for MDAnalysis.analysis.rms (#3925) #4009
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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 the developer mailing list 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.
Codecov ReportBase: 93.52% // Head: 93.30% // Decreases project coverage by
Additional details and impacted files@@ Coverage Diff @@
## develop #4009 +/- ##
===========================================
- Coverage 93.52% 93.30% -0.22%
===========================================
Files 190 190
Lines 25028 25028
Branches 3542 3542
===========================================
- Hits 23407 23353 -54
- Misses 1100 1150 +50
- Partials 521 525 +4
Help us with your feedback. Take ten seconds to tell us how you rate us. Have a feature suggestion? Share it here. ☔ View full report at Codecov. |
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Looks good to me. Congrats on your first contribution! Please introduce yourself on the developer mailing list so we can keep track of all our contributors. I'll merge when you have done this. :)
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Could you add yourself to authors and the changelog authors entry for 2.5.0 please? (no need to add a changelog entry)
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Thanks for that @chrispfae @IAlibay all good to merge?
>>> B = bb.positions.copy() # coordinates of last frame | ||
>>> rmsd(A, B, center=True) | ||
3.9482355416565049 | ||
6.838544558398293 | ||
|
||
.. versionchanged: 0.8.1 |
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.. versionchanged: 0.8.1 | |
.. versionchanged: 0.8.1 |
This is a slightly separate issue, but it looks like the versionchanged entries are being ignored because doctest need a blank line and so do versionchanged entries. I'll self merge this fix and see if it fixes the problem.
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That didn't fix it, I'm going to go ahead and shift the versionchanged problem to a separate issue, it's an issue that predates this fix anyways.
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lgtm although test failures are related to #4015 - we can merge once that's fixed.
Sorry about the wait on this @chrispfae - the other issue is fixed so it's good to merge. Congrats on your first completed PR with MDAnalysis! |
@IAlibay Don't worry. Glad that you were able to fix the other issue as well. |
Towards #3925 for MDAnalysis.analysis.rms
Changes made in this Pull Request:
I have for now corrected just one file. Is this how you expect to tackle the issue? If yes, I will continue to fix more failing examples.
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