//====================================================================================================================
void GasKinetics::
addReaction(ReactionData& r)
{
switch (r.reactionType) {
case ELEMENTARY_RXN:
addElementaryReaction(r);
break;
case THREE_BODY_RXN:
addThreeBodyReaction(r);
break;
case FALLOFF_RXN:
addFalloffReaction(r);
break;
case PLOG_RXN:
addPlogReaction(r);
break;
case CHEBYSHEV_RXN:
addChebyshevReaction(r);
break;
default:
throw CanteraError("GasKinetics::addReaction", "Invalid reaction type specified");
}
// operations common to all reaction types
installReagents(r);
installGroups(reactionNumber(), r.rgroups, r.pgroups);
incrementRxnCount();
m_rxneqn.push_back(r.equation);
}
bool GasKinetics::addReaction(shared_ptr<Reaction> r)
{
// operations common to all reaction types
bool added = BulkKinetics::addReaction(r);
if (!added) {
return false;
}
switch (r->reaction_type) {
case ELEMENTARY_RXN:
addElementaryReaction(dynamic_cast<ElementaryReaction&>(*r));
break;
case THREE_BODY_RXN:
addThreeBodyReaction(dynamic_cast<ThreeBodyReaction&>(*r));
break;
case FALLOFF_RXN:
case CHEMACT_RXN:
addFalloffReaction(dynamic_cast<FalloffReaction&>(*r));
break;
case PLOG_RXN:
addPlogReaction(dynamic_cast<PlogReaction&>(*r));
break;
case CHEBYSHEV_RXN:
addChebyshevReaction(dynamic_cast<ChebyshevReaction&>(*r));
break;
default:
throw CanteraError("GasKinetics::addReaction",
"Unknown reaction type specified: " + int2str(r->reaction_type));
}
return true;
}
/**
* Add a single reaction to the mechanism. This routine
* must be called after init() and before finalize().
* This function branches on the types of reactions allowed
* by the interfaceKinetics manager in order to install
* the reaction correctly in the manager.
* The manager allows the following reaction types
* Elementary
* Surface
* Global
* There is no difference between elementary and surface
* reactions.
*/
void InterfaceKinetics::
addReaction(const ReactionData& r) {
addElementaryReaction(r);
// operations common to all reaction types
installReagents( r );
//installGroups(reactionNumber(), r.rgroups, r.pgroups);
incrementRxnCount();
m_rxneqn.push_back(r.equation);
}
void AqueousKinetics::addReaction(ReactionData& r)
{
if (r.reactionType == ELEMENTARY_RXN) {
addElementaryReaction(r);
}
// operations common to all reaction types
installReagents(r);
installGroups(reactionNumber(), r.rgroups, r.pgroups);
incrementRxnCount();
m_rxneqn.push_back(r.equation);
}
/**
* Add a single reaction to the mechanism. This routine
* must be called after init() and before finalize().
* This function branches on the types of reactions allowed
* by the interfaceKinetics manager in order to install
* the reaction correctly in the manager.
* The manager allows the following reaction types
* Elementary
* Surface
* Global
* There is no difference between elementary and surface
* reactions.
*/
void InterfaceKinetics::addReaction(const ReactionData& r) {
/*
* Install the rate coefficient for the current reaction
* in the appropriate data structure.
*/
addElementaryReaction(r);
/*
* Add the reactants and products for m_ropnet;the current reaction
* to the various stoichiometric coefficient arrays.
*/
installReagents(r);
/*
* Save the reaction and product groups, which are
* part of the ReactionData class, in this class.
* They aren't used for anything but reaction path
* analysis.
*/
//installGroups(reactionNumber(), r.rgroups, r.pgroups);
/*
* Increase the internal number of reactions, m_ii, by one.
* increase the size of m_perturb by one as well.
*/
incrementRxnCount();
m_rxneqn.push_back(r.equation);
m_rxnPhaseIsReactant.resize(m_ii, 0);
m_rxnPhaseIsProduct.resize(m_ii, 0);
int np = nPhases();
int i = m_ii -1;
m_rxnPhaseIsReactant[i] = new bool[np];
m_rxnPhaseIsProduct[i] = new bool[np];
for (int p = 0; p < np; p++) {
m_rxnPhaseIsReactant[i][p] = false;
m_rxnPhaseIsProduct[i][p] = false;
}
const vector_int& vr = reactants(i);
for (int ik = 0; ik < (int) vr.size(); ik++) {
int k = vr[ik];
int p = speciesPhaseIndex(k);
m_rxnPhaseIsReactant[i][p] = true;
}
const vector_int& vp = products(i);
for (int ik = 0; ik < (int) vp.size(); ik++) {
int k = vp[ik];
int p = speciesPhaseIndex(k);
m_rxnPhaseIsProduct[i][p] = true;
}
}
bool AqueousKinetics::addReaction(shared_ptr<Reaction> r)
{
bool added = BulkKinetics::addReaction(r);
if (!added) {
return false;
}
if (r->reaction_type == ELEMENTARY_RXN) {
addElementaryReaction(dynamic_cast<ElementaryReaction&>(*r));
} else {
throw CanteraError("AqueousKinetics::addReaction",
"Invalid reaction type: {}", r->reaction_type);
}
return true;
}
