diff --git a/src/EdgeAnalysis.jl b/src/EdgeAnalysis.jl index 9256679e..3850862c 100644 --- a/src/EdgeAnalysis.jl +++ b/src/EdgeAnalysis.jl @@ -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 @@ -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 @@ -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