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Fixing #668 ODECsolver not handling bimolecular reactions correctly #673

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Jan 11, 2022
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Fixing #668 ODECsolver not handling bimolecular reactions correctly #673

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14 changes: 5 additions & 9 deletions gillespy2/solvers/cpp/c_base/ode_cpp_solver/ODESolver.cpp
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Original file line number Diff line number Diff line change
Expand Up @@ -169,16 +169,12 @@ namespace Gillespy

for (sunindextype species_index = 0; species_index < number_species; species_index++)
{
// If the species is a product of this reaction, add the propensity function.
if (model->reactions[reaction_index].species_change[species_index] > 0)
// If the species is a product (positive) or reactant (negativ) of this reaction,
// add the propensity function multiplied by the species_change value (e.g -2 for
// a bi-molecular reaction reactants).
if (model->reactions[reaction_index].species_change[species_index] != 0)
{
dydata[species_index] += propensity[reaction_index];
}

// If the species is a reactant, subtract the propensity function.
else if (model->reactions[reaction_index].species_change[species_index] < 0)
{
dydata[species_index] -= propensity[reaction_index];
dydata[species_index] += propensity[reaction_index] * model->reactions[reaction_index].species_change[species_index];
}
}
}
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