ReactionMechanismGenerator / ARC

ARC - Automatic Rate Calculator
https://reactionmechanismgenerator.github.io/ARC/index.html
MIT License
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Load reaction correctly from an ARC restart #688

Closed alongd closed 10 months ago

alongd commented 11 months ago

When a species is loaded from an Artkane YAML file and has a different label than in that file, it currently messes up the loading process of a reaction from a restart file. Plus, another possible complication (in addition or independently) is that a species label could be modified by ARC for convenient folder naming.

Here we consider these two issues when loading species and reactions from an ARC restart file

codecov[bot] commented 10 months ago

Codecov Report

Merging #688 (d5d9c87) into main (8be4bf4) will increase coverage by 0.01%. The diff coverage is 50.00%.

@@            Coverage Diff             @@
##             main     #688      +/-   ##
==========================================
+ Coverage   73.19%   73.21%   +0.01%     
==========================================
  Files          99       99              
  Lines       26537    26537              
  Branches     5549     5549              
==========================================
+ Hits        19425    19428       +3     
+ Misses       5771     5770       -1     
+ Partials     1341     1339       -2     
Flag Coverage Δ
unittests 73.21% <50.00%> (+0.01%) :arrow_up:

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Files Changed Coverage Δ
arc/reaction.py 66.79% <0.00%> (ø)
arc/species/species.py 71.92% <100.00%> (ø)
arc/species/species_test.py 99.90% <100.00%> (+0.09%) :arrow_up:

... and 1 file with indirect coverage changes

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