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Added more comments. -> only formatting.

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This commit is contained in:
Harry Moffat 2004-07-08 18:14:05 +00:00
parent 1c41b7c09d
commit d4b15618ca
2 changed files with 68 additions and 22 deletions
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66
Cantera/src/InterfaceKinetics.cpp
View file

@ -496,12 +496,20 @@ namespace Cantera {
void InterfaceKinetics::installReagents(const ReactionData& r) {
m_kdata->m_ropf.push_back(0.0); // extend by one for new rxn
int n, ns, m;
/*
* extend temporary storage by one for this rxn.
*/
m_kdata->m_ropf.push_back(0.0);
m_kdata->m_ropr.push_back(0.0);
m_kdata->m_ropnet.push_back(0.0);
int n, ns, m;
m_kdata->m_rkcn.push_back(0.0);
/*
* Obtain the current reaction index for the reaction that we
* are adding. The first reaction is labeled 0.
*/
int rnum = reactionNumber();
// vectors rk and pk are lists of species numbers, with
@ -511,46 +519,64 @@ namespace Cantera {
// faster method 'multiply' can be used to compute the rate of
// progress instead of 'power'.
// Note that this procedure is used for global reactions also.
// The
vector_int rk;
int nr = r.reactants.size();
for (n = 0; n < nr; n++) {
ns = r.rstoich[n];
/*
* Add to m_rrxn. m_rrxn is a vector of maps. m_rrxn has a length
* equal to the total number of species for each species, there
* exists a map, with the reaction number being the key, and the
* reactant stoichiometric coefficient being the value.
*/
m_rrxn[r.reactants[n]][rnum] = ns;
for (m = 0; m < ns; m++) {
rk.push_back(r.reactants[n]);
}
}
/*
* Now that we have rk[], we add it into the vector<vector_int> m_reactants
* in the rnum index spot. Thus m_reactants[rnum] yields a vector
* of reactants for the rnum'th reaction
*/
m_reactants.push_back(rk);
vector_int pk;
int np = r.products.size();
for (n = 0; n < np; n++) {
ns = r.pstoich[n];
/*
* Add to m_prxn. m_prxn is a vector of maps. m_prxn has a length
* equal to the total number of species for each species, there
* exists a map, with the reaction number being the key, and the
* product stoichiometric coefficient being the value.
*/
m_prxn[r.products[n]][rnum] = ns;
for (m = 0; m < ns; m++) {
pk.push_back(r.products[n]);
}
}
/*
* Now that we have pk[], we add it into the vector<vector_int> m_products
* in the rnum index spot. Thus m_products[rnum] yields a vector
* of products for the rnum'th reaction
*/
m_products.push_back(pk);
m_kdata->m_rkcn.push_back(0.0);
/*
* Add this reaction to the stoichiometric coefficient manager. This
* calculates rates of species production from reaction rates of
* progress.
*/
m_rxnstoich.add( reactionNumber(), r);
//m_reactantStoich.add( reactionNumber(), rk);
/*
* register reaction in lists of reversible and irreversible rxns.
*/
if (r.reversible) {
// m_revProductStoich.add(reactionNumber(), pk);
m_revindex.push_back(reactionNumber());
m_nrev++;
}
else {
//m_irrevProductStoich.add(reactionNumber(), pk);
m_irrev.push_back( reactionNumber() );
m_nirrev++;
m_revindex.push_back(reactionNumber());
m_nrev++;
} else {
m_irrev.push_back( reactionNumber() );
m_nirrev++;
}
}

24
Cantera/src/InterfaceKinetics.h
View file

@ -222,7 +222,9 @@ namespace Cantera {
// m_kdata->m_ropnet.begin(), net);
//m_reactantStoich.decrementSpecies(
// m_kdata->m_ropnet.begin(), net);
m_rxnstoich.getNetProductionRates(m_kk, m_kdata->m_ropnet.begin(), net);
m_rxnstoich.getNetProductionRates(m_kk,
m_kdata->m_ropnet.begin(),
net);
}
//@}
@ -276,7 +278,8 @@ namespace Cantera {
virtual void getFwdRateConstants(doublereal* kfwd);
virtual void getRevRateConstants(doublereal* krev, bool doIrreversible = false);
virtual void getRevRateConstants(doublereal* krev,
bool doIrreversible = false);
virtual void getActivationEnergies(doublereal *E);
//@}
@ -366,7 +369,24 @@ namespace Cantera {
vector<int> m_rxntype;
/**
* m_rrxn is a vector of maps. m_rrxn has a length
* equal to the total number of species in the kinetics
* object. For each species, there exists a map, with the
* reaction number being the key, and the
* reactant stoichiometric coefficient being the value.
* HKM -> mutable because search sometimes creates extra
* entries. To be fixed in future...
*/
mutable vector<map<int, doublereal> > m_rrxn;
/**
* m_rrxn is a vector of maps. m_rrxn has a length
* equal to the total number of species in the kinetics
* object. For each species, there exists a map, with the
* reaction number being the key, and the
* product stoichiometric coefficient being the value.
*/
mutable vector<map<int, doublereal> > m_prxn;