reactionMechanismSimulator.jl idealGas() call fails due to no default for stoichmatrix

Specific Domains Modelling & Simulations
1

The basic example of idealGas in reactionMechanism.jl fails to due no default for stoichmatrix.

Advice to fix is much appreciated. Thx!

    using ReactionMechanismSimulator

phaseDict = readinput("src/superminimal.rms")
spcs = phaseDict["phase"]["Species"]
rxns = phaseDict["phase"]["Reactions"]
ig = IdealGas(spcs,rxns,name="gas")
# ERROR: LoadError: Field 'stoichmatrix' has no default, supply it with keyword.
# Stacktrace:
#  [1] error(s::String)
#    @ Base ./error.jl:33
#  [2] IdealGas(species::Vector{Species}, reactions::Vector{ElementaryReaction}; name::String, diffusionlimited::Bool)
#    @ ReactionMechanismSimulator ~/.julia/packages/ReactionMechanismSimulator/MW0YP/src/Phase.jl:32
#  [3] top-level scope
#    @ ~/Projects/SIR/src/RMS.jl:6

initialconds = Dict(["T"=>1000.0,"P"=>1e5,"H2"=>0.67,"O2"=>0.33]) # Initial Temp and Pressure
domain,y0,p = ConstantTPDomain(phase=ig,initialconds=initialconds)

react = Reactor(domain,y0,(0.0,150.1);p=p)
sol = solve(react.ode,CVODE_BDF(),abstol=1e-20,reltol=1e-12)

bsol = Simulation(sol, domain)
2

I don’t think Matt uses this so you might want to email him directly.

3

Apologies for being slow in my comprehension.

Who is Matt? What do I tell him?

Thx, Domenico.

4

Thanks Chris for the ping. I’m having trouble reproducing this issue on master or on v0.3.2. My guess is this is a call syntax thing, it’s possible this might be dependent on julia version, I’m using v1.4.2. I think:

ig = IdealGas(spcs,rxns;name=“gas”)

Should definitely work.

5

Sincere thx! I will look into it further. To be continued.

6

Is there any reason why this would no longer work under Julia 1.6? What is a good way to gain more understanding in this matter? Thx again.

7

I figured out the bug and the fix is merged to master now, but I haven’t had time to do a new release yet.

8

Thank you so much! We will get back to you on this.