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correcting recently-introduced bug

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This commit is contained in:
Dave Goodwin 2007-05-29 10:38:07 +00:00
parent 14aa5baee8
commit a68e8f734d
1 changed files with 22 additions and 8 deletions
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30
Cantera/src/kinetics/importKinetics.cpp
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@ -111,7 +111,7 @@ public:
bal.clear();
balp.clear();
balr.clear();
//cout << "checking " << rdata.equation << endl;
int np = rdata.products.size();
// iterate over the products
@ -125,6 +125,7 @@ public:
for (m = 0; m < nel; m++) {
bal[ph.elementName(m)] += kstoich*ph.nAtoms(klocal,m);
balp[ph.elementName(m)] += kstoich*ph.nAtoms(klocal,m);
//cout << "product species " << ph.speciesName(klocal) << " has " << ph.nAtoms(klocal,m) << " atoms of " << ph.elementName(m) << " and kstoich = " << kstoich << endl;
}
}
int nr = rdata.reactants.size();
@ -139,6 +140,7 @@ public:
for (m = 0; m < nel; m++) {
bal[ph.elementName(m)] -= kstoich*ph.nAtoms(klocal,m);
balr[ph.elementName(m)] += kstoich*ph.nAtoms(klocal,m);
//cout << "reactant species " << ph.speciesName(klocal) << " has " << ph.nAtoms(klocal,m) << " atoms of " << ph.elementName(m) << " and kstoich = " << kstoich << endl;
}
}
@ -196,6 +198,7 @@ public:
vector_int& spnum, vector_fp& stoich, vector_fp& order,
int rule) {
string rptype;
/*
@ -256,6 +259,8 @@ public:
stoich.push_back(stch);
ord = doublereal(stch);
order.push_back(ord);
//cout << key[n] << " " << isp << " " << stch << endl;
/*
* Needed to process reaction orders below.
*/
@ -284,11 +289,11 @@ public:
throw CanteraError("getReagents",
"reaction order must be non-negative");
}
// replace the stoichiometric coefficient
// stored above in 'order' with the specified
// reaction order
order[loc-1] = forder;
}
// replace the stoichiometric coefficient
// stored above in 'order' with the specified
// reaction order
order[loc-1] = forder;
}
}
return true;
}
@ -650,12 +655,21 @@ public:
// get the reactants
ok = getReagents(r, kin, 1, default_phase, rdata.reactants,
rdata.rstoich, rdata.order, rule);
//cout << "Reactants: " << endl;
int npp = rdata.reactants.size();
int nj;
//for (nj = 0; nj < npp; nj++) {
// cout << rdata.reactants[nj] << " " << rdata.rstoich[nj] << endl;
//}
/*
* Get the products. We store the id of products in rdata.products
*/
ok = ok && getReagents(r, kin, -1, default_phase, rdata.products,
rdata.pstoich, rdata.pstoich, rule);
rdata.pstoich, dummy, rule);
//cout << "Products: " << endl;npp = rdata.products.size();
//for (nj = 0; nj < npp; nj++) {
// cout << rdata.products[nj] << " " << rdata.pstoich[nj] << endl;
//}
// if there was a problem getting either the reactants or the products,
// then abort.