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Fixed a divide by zero in the function checkRxnElementBalance()

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This commit is contained in:
Harry Moffat 2007-06-15 23:08:57 +00:00
parent d80ff022a4
commit a76f99bbbc
1 changed files with 13 additions and 8 deletions
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21
Cantera/src/kinetics/importKinetics.cpp
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@ -114,7 +114,8 @@ 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;
//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();
@ -129,20 +130,24 @@ 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;
//cout << "reactant species " << ph.speciesName(klocal) << " has " << ph.nAtoms(klocal,m)
// << " atoms of " << ph.elementName(m) << " and kstoich = " << kstoich << endl;
}
}
map<string, double>::iterator b = bal.begin();
string msg = "\n\tElement Reactants Products";
bool ok = true;
doublereal err;
doublereal err, elemsum;
for (; b != bal.end(); ++b) {
err = fabs(b->second/(balr[b->first] + balp[b->first]));
if (err > errorTolerance) {
ok = false;
msg += "\n\t"+b->first+" "+ fp2str(balr[b->first])
+" "+ fp2str(balp[b->first]);
elemsum = fabs(balr[b->first]) + fabs(balp[b->first]);
if (elemsum > 0.0) {
err = fabs(b->second/elemsum);
if (err > errorTolerance) {
ok = false;
msg += "\n\t"+b->first+" "+ fp2str(balr[b->first])
+" "+ fp2str(balp[b->first]);
}
}
}
if (!ok) {