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Fixed processfluxes for interfaces #266

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merged 1 commit into from
Feb 4, 2025
Merged

Fixed processfluxes for interfaces #266

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9 changes: 5 additions & 4 deletions src/EdgeAnalysis.jl
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Original file line number Diff line number Diff line change
Expand Up @@ -373,6 +373,7 @@ function processfluxes(sim::SystemSimulation,
end
for d in sim.interfaces
if hasproperty(d,:rxnarray)
interspecieslist = vcat(d.domain1.phase.species, d.domain2.phase.species)
@inbounds for i = 1:size(d.rxnarray)[2]
if @inbounds any(d.rxnarray[:,i].>length(corespeciesconcentrations))
continue
Expand All @@ -383,8 +384,8 @@ function processfluxes(sim::SystemSimulation,
@inbounds corespeciesconsumptionrates[d.rxnarray[j,i]] += frts[i+index]
@inbounds corespeciesproductionrates[d.rxnarray[j,i]] += rrts[i+index]
corespeciesnetconsumptionrates[d.rxnarray[j,i]] += net_forward_rate
if d.phase.species[d.rxnarray[j,i]].radicalelectrons == 1
coreradicalnetterminationrates[d.rxnarray[j,i]] += net_forward_rate * abs(min(d.phase.reactions[i].radicalchange, 0.0))
if interspecieslist[d.rxnarray[j,i]].radicalelectrons == 1
coreradicalnetterminationrates[d.rxnarray[j,i]] += net_forward_rate * abs(min(d.reactions[i].radicalchange, 0.0))
end
else
break
Expand All @@ -396,8 +397,8 @@ function processfluxes(sim::SystemSimulation,
@inbounds corespeciesproductionrates[d.rxnarray[j,i]] += frts[i+index]
@inbounds corespeciesconsumptionrates[d.rxnarray[j,i]] += rrts[i+index]
corespeciesnetconsumptionrates[d.rxnarray[j,i]] += net_reverse_rate
if d.phase.species[d.rxnarray[j,i]].radicalelectrons == 1
coreradicalnetterminationrates[d.rxnarray[j,i]] += net_reverse_rate * abs(min(-d.phase.reactions[i].radicalchange, 0.0))
if interspecieslist[d.rxnarray[j,i]].radicalelectrons == 1
coreradicalnetterminationrates[d.rxnarray[j,i]] += net_reverse_rate * abs(min(-d.reactions[i].radicalchange, 0.0))
end
else
break
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