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change CHARMM selection syntax page#2973

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lilyminium merged 1 commit intoMDAnalysis:masterfrom
IAlibay:issue-2971-backport
Oct 6, 2020
Merged

change CHARMM selection syntax page#2973
lilyminium merged 1 commit intoMDAnalysis:masterfrom
IAlibay:issue-2971-backport

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@IAlibay
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@IAlibay IAlibay commented Oct 6, 2020

Fixes #2971

Changes made in this Pull Request:

PR Checklist

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

@IAlibay IAlibay requested a review from lilyminium October 6, 2020 11:09
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LGTM, master version of #2972 :-)

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codecov bot commented Oct 6, 2020

Codecov Report

Merging #2973 into master will increase coverage by 0.59%.
The diff coverage is n/a.

Impacted file tree graph

@@            Coverage Diff             @@
##           master    #2973      +/-   ##
==========================================
+ Coverage   91.57%   92.17%   +0.59%     
==========================================
  Files         168      169       +1     
  Lines       23368    23177     -191     
  Branches     3186     3186              
==========================================
- Hits        21400    21364      -36     
- Misses       1342     1716     +374     
+ Partials      626       97     -529     
Impacted Files Coverage Δ
package/MDAnalysis/topology/tpr/obj.py 96.82% <0.00%> (-3.18%) ⬇️
...onality_reduction/DimensionalityReductionMethod.py 97.14% <0.00%> (-2.86%) ⬇️
coordinates/base.py 94.09% <0.00%> (-0.63%) ⬇️
util.py 88.26% <0.00%> (-0.02%) ⬇️
package/MDAnalysis/analysis/base.py 100.00% <0.00%> (ø)
package/MDAnalysis/lib/nsgrid.pyx
package/MDAnalysis/lib/_augment.pyx
package/MDAnalysis/lib/qcprot.pyx
package/MDAnalysis/lib/c_distances.pyx
package/MDAnalysis/analysis/legacy/__init__.py 0.00% <0.00%> (ø)
... and 90 more

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@lilyminium lilyminium merged commit 1116b7e into MDAnalysis:master Oct 6, 2020
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3 participants