SciML / SBMLToolkit.jl

SBML differential equation and chemical reaction model (Gillespie simulations) for Julia's SciML ModelingToolkit
https://docs.sciml.ai/SBMLToolkit/stable/
MIT License
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Pl/constant specs as ps #72

Closed paulflang closed 2 years ago

paulflang commented 2 years ago

Trying Catalyst#constant-specs-as-ps. cc @isaacsas

paulflang commented 2 years ago

@isaacsas : https://github.com/SciML/Catalyst.jl/pull/522 works for me locally. I just don't know how to best get it to work here on CI, cause when I push the Manifest I get an error that it was created with a different Julia version (using 1.7 locally) and if I don't push it I would assume that it does not find your Catalyst branch. Do I need to fix this? If so how? Otherwise Catalyst#constant-specs-as-ps seems good to merge from my perspective.

isaacsas commented 2 years ago

Sounds good. I’ll try to fix up the API stuff and then make a new breaking release. Should be tomorrow evening at the latest if that works.

paulflang commented 2 years ago

Great, thanks!

codecov[bot] commented 2 years ago

Codecov Report

Merging #72 (a9eae61) into main (0b4dcb8) will increase coverage by 0.04%. The diff coverage is 100.00%.

@@            Coverage Diff             @@
##             main      #72      +/-   ##
==========================================
+ Coverage   98.61%   98.66%   +0.04%     
==========================================
  Files           1        1              
  Lines         217      224       +7     
==========================================
+ Hits          214      221       +7     
  Misses          3        3              
Impacted Files Coverage Δ
src/reactionsystem.jl 98.66% <100.00%> (+0.04%) :arrow_up:

:mega: Codecov can now indicate which changes are the most critical in Pull Requests. Learn more

paulflang commented 2 years ago

@anandijain , this PR treats constant species as parameters. It assigns them the new isconstantspecies=true metadata in Catalyst v12 (IIUC this allows them to participate as reactants/products and enable correct interpretation of mass action kinetics). Could you please review?

anandijain commented 2 years ago

lgtm