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Use autoGenerated tag instead of the hardcoded family list #2157

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merged 1 commit into from
Jun 15, 2021

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hwpang
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@hwpang hwpang commented Jun 14, 2021

Motivation or Problem

Multiple PRs in RMG-database related to tree generation failed the database test (e.g. ReactionMechanismGenerator/RMG-database#493 and ReactionMechanismGenerator/RMG-database#495)

Description of Changes

Made the code to look for auto_generated tag instead of the hardcoded list to avoid needing to twin PR

Testing

I didn't run a test as this should be a straight forward change

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Good idea. Made a couple of suggestions.

testing/databaseTest.py Outdated Show resolved Hide resolved
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@hwpang hwpang force-pushed the fix_databaseTestforTreeGen branch from 8ca9754 to 3fc42a1 Compare June 14, 2021 20:30
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hwpang commented Jun 14, 2021

@rwest Thanks for the catch!

rwest
rwest previously approved these changes Jun 14, 2021
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Now looks good to me, but I'd wait for the automated tests before merging, to be safe.

ChrisBNEU
ChrisBNEU previously approved these changes Jun 14, 2021
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looks good to me as well. thanks!

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codecov bot commented Jun 14, 2021

Codecov Report

Merging #2157 (3fc42a1) into master (98a7d80) will increase coverage by 0.34%.
The diff coverage is n/a.

❗ Current head 3fc42a1 differs from pull request most recent head bf8afcd. Consider uploading reports for the commit bf8afcd to get more accurate results
Impacted file tree graph

@@            Coverage Diff             @@
##           master    #2157      +/-   ##
==========================================
+ Coverage   47.91%   48.26%   +0.34%     
==========================================
  Files         101      101              
  Lines       26989    27210     +221     
  Branches     6911     7125     +214     
==========================================
+ Hits        12932    13133     +201     
+ Misses      12684    12680       -4     
- Partials     1373     1397      +24     
Impacted Files Coverage Δ
arkane/kinetics.py 12.24% <0.00%> (ø)
rmgpy/molecule/draw.py 53.26% <0.00%> (+1.28%) ⬆️
rmgpy/data/kinetics/family.py 50.24% <0.00%> (+2.79%) ⬆️

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Can you rebase?

@hwpang hwpang dismissed stale reviews from ChrisBNEU and rwest via bf8afcd June 15, 2021 00:36
@hwpang hwpang force-pushed the fix_databaseTestforTreeGen branch from 3fc42a1 to bf8afcd Compare June 15, 2021 00:36
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hwpang commented Jun 15, 2021

Can you rebase?

Rebased!

@mjohnson541 mjohnson541 merged commit a649393 into master Jun 15, 2021
@mjohnson541 mjohnson541 deleted the fix_databaseTestforTreeGen branch June 15, 2021 01:32
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4 participants