Method addReaction

src/kinetics/InterfaceKinetics.cpp:384–445

}

bool InterfaceKinetics::addReaction(shared_ptr<Reaction> r_base, bool resize)
{
    if (!m_surf) {
        init();
    }

    size_t i = nReactions();
    shared_ptr<ReactionRate> rate = r_base->rate();
    if (rate) {
        rate->setContext(*r_base, *this);
    }

    bool added = Kinetics::addReaction(r_base, resize);
    if (!added) {
        return false;
    }

    m_rxnPhaseIsReactant.emplace_back(nPhases(), false);
    m_rxnPhaseIsProduct.emplace_back(nPhases(), false);

    for (const auto& [name, stoich] : r_base->reactants) {
        size_t k = kineticsSpeciesIndex(name);
        size_t p = speciesPhaseIndex(k);
        m_rxnPhaseIsReactant[i][p] = true;
    }
    for (const auto& [name, stoich] : r_base->products) {
        size_t k = kineticsSpeciesIndex(name);
        size_t p = speciesPhaseIndex(k);
        m_rxnPhaseIsProduct[i][p] = true;
    }

    // Set index of rate to number of reaction within kinetics
    rate->setRateIndex(nReactions() - 1);

    string rtype = rate->subType();
    if (rtype == "") {
        rtype = rate->type();
    }

    // If necessary, add new interface MultiRate evaluator
    if (m_rateTypes.find(rtype) == m_rateTypes.end()) {
        m_rateTypes[rtype] = m_rateHandlers.size();
        m_rateHandlers.push_back(rate->newMultiRate());
        m_rateHandlers.back()->resize(m_kk, nReactions(), nPhases());
    }

    // Add reaction rate to evaluator
    size_t index = m_rateTypes[rtype];
    m_rateHandlers[index]->add(nReactions() - 1, *rate);

    // Set flag for coverage dependence to true
    if (rate->compositionDependent()) {
        m_has_coverage_dependence = true;
    }

    // Set flag for electrochemistry to true
    if (r_base->usesElectrochemistry(*this)) {
        m_has_electrochemistry = true;