Function main

test_problems/surfSolverTest/surfaceSolver2.cpp:135–281

}

int main(int argc, char** argv)
{
    string infile = "haca2.yaml";
    string gasPhaseName = "gas";
    string bulkParticlePhaseName = "soot";
    string surfParticlePhaseName = "soot_interface";
    int ioflag = 1;

    try {
        auto gasTP = newThermo(infile, gasPhaseName);
        size_t nspGas = gasTP->nSpecies();
        cout << "Number of species = " << nspGas << endl;

        auto bulkPhaseTP = newThermo(infile, bulkParticlePhaseName);
        size_t nspBulk = bulkPhaseTP->nSpecies();
        cout << "Number of species in bulk phase named " <<
             bulkParticlePhaseName << " = " << nspBulk << endl;

        auto surfPhaseTP = newThermo(infile, surfParticlePhaseName);
        size_t nsp_d100 = surfPhaseTP->nSpecies();
        cout << "Number of species in surface phase, " << surfParticlePhaseName
             << " = " << nsp_d100 << endl;

        auto kin = newKinetics({surfPhaseTP, gasTP, bulkPhaseTP}, infile);
        auto iKin_ptr = dynamic_pointer_cast<InterfaceKinetics>(kin);
        size_t nr = iKin_ptr->nReactions();
        cout << "Number of reactions = " << nr << endl;

        ofstream ofile("results2.txt");

        // create a second copy of the same surface phase
        // (this is a made up problem btw to check the software capability)
        auto surfPhaseTP2 = newThermo(infile, surfParticlePhaseName);
        size_t nsp2 = surfPhaseTP2->nSpecies();
        string pname = surfPhaseTP2->name();
        cout << "Number of species in 2nd surface phase, " << pname
             << " = " << nsp2 << endl;

        // create the second  InterfaceKinetics object based on the
        // second surface phase.
        auto kin2 = newKinetics({surfPhaseTP2, gasTP, bulkPhaseTP}, infile);
        auto iKin2_ptr = dynamic_pointer_cast<InterfaceKinetics>(kin2);
        nr = iKin_ptr->nReactions();
        cout << "Number of reactions = " << nr << endl;

        double x[MSSIZE];

        /*
         *  Set-up the Surface Problem
         *    This problem will consist of 2 identical InterfaceKinetics objects
         */
        vector<InterfaceKinetics*> vecKinPtrs { iKin_ptr.get(), iKin2_ptr.get() };

        // Create the ImplicitSurfChem problem
        // Initialize it and call the pseudo steadystate capability.
        ImplicitSurfChem* surfaceProb = new ImplicitSurfChem(vecKinPtrs);
        surfaceProb->initialize();
        surfaceProb->setIOFlag(ioflag);