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Enforce third-body concentration as argument to falloff_function #1257

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merged 2 commits into from
Apr 29, 2022

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@ischoegl ischoegl commented Apr 29, 2022

Changes proposed in this pull request

  • Make third-body-concentration mandatory

The method is new in 2.6, and simply breaks out C++ code to the Python API.

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Closes #1254

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  • The pull request includes a clear description of this code change
  • Commit messages have short titles and reference relevant issues
  • Build passes (scons build & scons test) and unit tests address code coverage
  • Style & formatting of contributed code follows contributing guidelines
  • The pull request is ready for review

@ischoegl ischoegl changed the title [Kinetics] Enforce third-body concentration as argument to falloff_fu… Enforce third-body concentration as argument to falloff_function Apr 29, 2022
FalloffRate.falloff_function requires knowledge of both temperature and
third-body concentration
@ischoegl ischoegl marked this pull request as ready for review April 29, 2022 14:34
@ischoegl ischoegl requested a review from a team April 29, 2022 14:34
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codecov bot commented Apr 29, 2022

Codecov Report

Merging #1257 (f667d4c) into main (a394423) will increase coverage by 0.01%.
The diff coverage is n/a.

@@            Coverage Diff             @@
##             main    #1257      +/-   ##
==========================================
+ Coverage   65.50%   65.52%   +0.01%     
==========================================
  Files         329      329              
  Lines       46666    46666              
  Branches    19855    19855              
==========================================
+ Hits        30568    30576       +8     
+ Misses      13538    13530       -8     
  Partials     2560     2560              
Impacted Files Coverage Δ
include/cantera/kinetics/Falloff.h 81.35% <0.00%> (+6.77%) ⬆️

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LGTM, thanks @ischoegl! Will merge after the tests finish. Feel free to merge if I don't get to it first.

@ischoegl ischoegl merged commit 3c9368b into Cantera:main Apr 29, 2022
@ischoegl ischoegl deleted the fix-1254 branch May 1, 2022 17:51
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FalloffRate.third_body_concentration is not defined
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