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Added deprecation warning when trying to add_TopAttr bfactors or tempfactors #3161

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merged 4 commits into from
Mar 14, 2021

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lilyminium
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Fixes #

Changes made in this Pull Request:

  • Added deprecation warning when trying to add_TopAttr bfactors or tempfactors, when the universe already contains the other

PR Checklist

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

@lilyminium lilyminium requested a review from IAlibay March 14, 2021 20:00
@pep8speaks
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pep8speaks commented Mar 14, 2021

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

Line 834:34: W291 trailing whitespace

Comment last updated at 2021-03-14 21:06:38 UTC

@lilyminium lilyminium mentioned this pull request Mar 14, 2021
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@IAlibay IAlibay left a comment

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Thanks @lilyminium

It would be good to document this somewhere in the docstring so that folks can look up what we are planning to do here.

package/MDAnalysis/core/universe.py Show resolved Hide resolved
package/CHANGELOG Show resolved Hide resolved
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codecov bot commented Mar 14, 2021

Codecov Report

Merging #3161 (737cdcd) into master (7ed893d) will increase coverage by 0.84%.
The diff coverage is 100.00%.

Impacted file tree graph

@@            Coverage Diff             @@
##           master    #3161      +/-   ##
==========================================
+ Coverage   90.97%   91.81%   +0.84%     
==========================================
  Files         162      167       +5     
  Lines       22194    22704     +510     
  Branches     3198     3200       +2     
==========================================
+ Hits        20190    20846     +656     
- Misses       1381     1774     +393     
+ Partials      623       84     -539     
Impacted Files Coverage Δ
package/MDAnalysis/core/universe.py 97.55% <100.00%> (+1.19%) ⬆️
package/MDAnalysis/topology/tpr/obj.py 96.82% <0.00%> (-3.18%) ⬇️
...onality_reduction/DimensionalityReductionMethod.py 97.14% <0.00%> (-2.86%) ⬇️
package/MDAnalysis/due.py 56.09% <0.00%> (ø)
package/MDAnalysis/analysis/legacy/__init__.py 0.00% <0.00%> (ø)
package/MDAnalysis/analysis/legacy/x3dna.py 0.00% <0.00%> (ø)
package/MDAnalysis/tests/__init__.py 100.00% <0.00%> (ø)
package/MDAnalysis/tests/datafiles.py 31.25% <0.00%> (ø)
package/MDAnalysis/core/selection.py 99.52% <0.00%> (+<0.01%) ⬆️
...sis/analysis/encore/clustering/ClusteringMethod.py 96.96% <0.00%> (+0.04%) ⬆️
... and 86 more

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@IAlibay IAlibay left a comment

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I'm assuming you're adding yourself to the 1.1.0 author list somewhere else?

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Yes, in one of the other gazillion PRs I have open 😅

@IAlibay IAlibay merged commit 1eede18 into MDAnalysis:master Mar 14, 2021
@lilyminium lilyminium deleted the warn-bfactors branch March 14, 2021 21:51
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3 participants