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[Kinetics] Remove unused code for reactant and product "groups"

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This commit is contained in:
Ray Speth 2015-07-20 14:04:53 -04:00
parent 4f1250ef53
commit c49c969184
3 changed files with 1 additions and 66 deletions
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11
include/cantera/kinetics/Kinetics.h
View file

@ -806,17 +806,6 @@ public:
m_skipUndeclaredThirdBodies = skip;
}
virtual void installGroups(size_t irxn, const std::vector<grouplist_t>& r,
const std::vector<grouplist_t>& p);
virtual const std::vector<grouplist_t>& reactantGroups(size_t i) {
return m_rgroups[i];
}
virtual const std::vector<grouplist_t>& productGroups(size_t i) {
return m_pgroups[i];
}
//@}
//! @name Altering Reaction Rates
/*!

11
src/kinetics/Kinetics.cpp
View file

@ -684,15 +684,4 @@ shared_ptr<Reaction> Kinetics::reaction(size_t i)
return m_reactions[i];
}
void Kinetics::installGroups(size_t irxn, const vector<grouplist_t>& r,
const vector<grouplist_t>& p)
{
if (!r.empty()) {
writelog("installing groups for reaction "+int2str(irxn));
m_rgroups[irxn] = r;
m_pgroups[irxn] = p;
}
}
}

45
src/kinetics/ReactionPath.cpp
View file

@ -449,56 +449,13 @@ int ReactionPathBuilder::findGroups(ostream& logfile, Kinetics& s)
}
}
size_t nr = r.size();
size_t np = p.size();
Group b0, b1, bb;
vector<string>& e = m_elementSymbols;
const vector<grouplist_t>& rgroups = s.reactantGroups(i);
const vector<grouplist_t>& pgroups = s.productGroups(i);
if (m_determinate[i]) {
logfile << " ... OK." << endl;
}
else if (rgroups.size() > 0) {
logfile << " ... specified groups." << endl;
size_t nrg = rgroups.size();
size_t npg = pgroups.size();
size_t kr, kp, ngrpr, ngrpp;
Group gr, gp;
if (nrg != nr || npg != np) {
return -1;
}
// loop over reactants
for (size_t igr = 0; igr < nrg; igr++) {
kr = r[igr];
ngrpr = rgroups[igr].size();
// loop over products
for (size_t igp = 0; igp < npg; igp++) {
kp = p[igp];
ngrpp = pgroups[igp].size();
// loop over pairs of reactant and product groups
for (size_t kgr = 0; kgr < ngrpr; kgr++) {
gr = Group(rgroups[igr][kgr]);
for (size_t kgp = 0; kgp < ngrpp; kgp++) {
gp = Group(pgroups[igp][kgp]);
if (gr == gp) {
m_transfer[i][kr][kp] = gr;
}
}
}
}
}
}
else if (nrnet == 2 && npnet == 2) {
} else if (nrnet == 2 && npnet == 2) {
// indices for the two reactants
size_t kr0 = m_reac[i][0];
size_t kr1 = m_reac[i][1];