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Add atom index to Group()._repr_png_#1758

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mliu49 merged 2 commits into
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moleculeGroupGraphIndex
Oct 31, 2019
Merged

Add atom index to Group()._repr_png_#1758
mliu49 merged 2 commits into
masterfrom
moleculeGroupGraphIndex

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@hwpang

@hwpang hwpang commented Oct 9, 2019

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Description of Changes

Add atom index consistent with adjacency list to molecule group graph for users' convenience.

@hwpang
hwpang requested a review from mliu49 October 9, 2019 22:41
@mliu49

mliu49 commented Oct 9, 2019

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Out of curiosity, what happened with the other PR?

@hwpang

hwpang commented Oct 9, 2019

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Out of curiosity, what happened with the other PR?

I was trying to use the PR function in VScode but things didn't work the way I expected lol
Sorry for confusion.

@mliu49

mliu49 commented Oct 10, 2019

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There is a unit test for the Group.draw method which you will need to update.

@hwpang

hwpang commented Oct 10, 2019

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There is a unit test for the Group.draw method which you will need to update.

unit test expected result modified

@codecov

codecov Bot commented Oct 10, 2019

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Codecov Report

Merging #1758 into master will not change coverage.
The diff coverage is 0%.

Impacted file tree graph

@@           Coverage Diff           @@
##           master    #1758   +/-   ##
=======================================
  Coverage   32.61%   32.61%           
=======================================
  Files          87       87           
  Lines       26124    26124           
  Branches     6878     6878           
=======================================
  Hits         8521     8521           
+ Misses      16644    16633   -11     
- Partials      959      970   +11
Impacted Files Coverage Δ
rmgpy/molecule/group.py 0% <0%> (ø) ⬆️
rmgpy/data/statmech.py 42.2% <0%> (ø) ⬆️
rmgpy/rmg/pdep.py 12.21% <0%> (ø) ⬆️
rmgpy/reaction.py 0% <0%> (ø) ⬆️
rmgpy/data/kinetics/family.py 48.35% <0%> (ø) ⬆️
rmgpy/yml.py 15.71% <0%> (ø) ⬆️
rmgpy/data/kinetics/database.py 50.61% <0%> (ø) ⬆️
rmgpy/rmg/input.py 34% <0%> (ø) ⬆️
rmgpy/molecule/molecule.py 0% <0%> (ø) ⬆️
rmgpy/statmech/ndTorsions.py 59.78% <0%> (ø) ⬆️

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@mliu49

mliu49 commented Oct 11, 2019

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Could you rebase?

@hwpang
hwpang force-pushed the moleculeGroupGraphIndex branch from d4ad98f to 1a23fd3 Compare October 11, 2019 01:03
@hwpang

hwpang commented Oct 11, 2019

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Could you rebase?

Rebase is finished. @mliu49 :-)

@mliu49

mliu49 commented Oct 30, 2019

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Sorry, I forgot to merge this. Could you rebase again?

@hwpang
hwpang force-pushed the moleculeGroupGraphIndex branch from 1a23fd3 to 4fc5739 Compare October 30, 2019 18:59
@hwpang

hwpang commented Oct 30, 2019

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Sorry, I forgot to merge this. Could you rebase again?

I rebased again. Thanks.

@hwpang
hwpang force-pushed the moleculeGroupGraphIndex branch from 4fc5739 to ed87ab0 Compare October 30, 2019 22:54
@mliu49
mliu49 merged commit 0385f3a into master Oct 31, 2019
@mliu49
mliu49 deleted the moleculeGroupGraphIndex branch October 31, 2019 01:50
@mliu49 mliu49 mentioned this pull request Dec 16, 2019
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