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Speed up duplicate reaction check in installReactions

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This version of the "participants" key is more likely to have collisions, but
having the key be a simple scalar speeds things up quite a bit.
This commit is contained in:
Ray Speth 2013-06-28 21:24:44 +00:00
parent ee9b153efb
commit 8ded648bf4
1 changed files with 5 additions and 5 deletions
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10
src/kinetics/importKinetics.cpp
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@ -49,9 +49,9 @@ class rxninfo
public:
std::vector<ReactionData*> m_rdata;
//! Map of (vector indicating participating species) to reaction numbers
//! Map of (key indicating participating species) to reaction numbers
//! Used to speed up duplicate reaction checks.
std::map<std::vector<char>, std::vector<size_t> > m_participants;
std::map<unsigned long int, std::vector<size_t> > m_participants;
/**
* Install an individual reaction into a kinetics manager. The
@ -752,14 +752,14 @@ bool rxninfo::installReaction(int iRxn, const XML_Node& r, Kinetics& kin,
if (validate_rxn) {
// Look for undeclared duplicate reactions.
vector<char> participants(kin.nTotalSpecies(), 0);
unsigned long int participants = 0;
for (size_t nn = 0; nn < rdata.reactants.size(); nn++) {
rdata.net_stoich[-1 - int(rdata.reactants[nn])] -= rdata.rstoich[nn];
participants[rdata.reactants[nn]] += 1;
participants += rdata.reactants[nn];
}
for (size_t nn = 0; nn < rdata.products.size(); nn++) {
rdata.net_stoich[int(rdata.products[nn])+1] += rdata.pstoich[nn];
participants[rdata.products[nn]] += 2;
participants += 1000000 * rdata.products[nn];
}
vector<size_t>& related = m_participants[participants];