ReactionMechanismGenerator / ReactionMechanismSimulator.jl

The amazing Reaction Mechanism Simulator for simulating large chemical kinetic mechanisms
https://reactionmechanismgenerator.github.io/ReactionMechanismSimulator.jl
MIT License
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Enabling simulation of reduced model #176

Closed hwpang closed 2 years ago

hwpang commented 3 years ago

This PR adds code to (1) reduce kinetic model using user specified qssa and isomer lumping and (2) simulate the reduced model.

hwpang commented 2 years ago

New push addresses all comments

hwpang commented 2 years ago

New pushes updates Julia used for documentation from v1.5 to v1.6. ModelingToolkit 8 doesn't work with Julia v1.5 and thus the tests failed to install packages for the documentation build.

codecov[bot] commented 2 years ago

Codecov Report

Merging #176 (43afde2) into main (cf156ab) will increase coverage by 0.88%. The diff coverage is 79.67%.

@@            Coverage Diff             @@
##             main     #176      +/-   ##
==========================================
+ Coverage   47.58%   48.47%   +0.88%     
==========================================
  Files          29       30       +1     
  Lines        6515     6672     +157     
==========================================
+ Hits         3100     3234     +134     
- Misses       3415     3438      +23     
Impacted Files Coverage Δ
src/ReactionMechanismSimulator.jl 0.00% <ø> (ø)
src/TestEdgeAnalysis.jl 100.00% <ø> (ø)
src/TestReactors.jl 100.00% <ø> (ø)
src/Domain.jl 58.21% <23.07%> (ø)
src/EdgeAnalysis.jl 51.08% <33.33%> (ø)
src/PhaseState.jl 76.35% <50.00%> (-0.27%) :arrow_down:
src/Interface.jl 86.53% <75.00%> (-0.04%) :arrow_down:
src/Reactor.jl 50.00% <83.72%> (+2.86%) :arrow_up:
src/ModelReduction.jl 85.71% <85.71%> (ø)
src/Simulation.jl 34.94% <93.54%> (+4.28%) :arrow_up:

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hwpang commented 2 years ago

@mjohnson541 All tests have passed!

hwpang commented 2 years ago

@mjohnson541 All tests have passed!