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Fixed illegal access to empty vectors in falloff reaction handling

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This commit is contained in:
Ray Speth 2012-01-09 17:35:10 +00:00
parent 85c34049b6
commit 8955a9f701
1 changed files with 32 additions and 15 deletions
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47
Cantera/src/kinetics/GasKinetics.cpp
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@ -65,18 +65,21 @@ namespace Cantera {
_update_rates_T() {
doublereal T = thermo().temperature();
m_kdata->m_logStandConc = log(thermo().standardConcentration());
//if (fabs(T - m_kdata->m_temp) > 0.0) {
doublereal logT = log(T);
m_rates.update(T, logT, &m_kdata->m_rfn[0]);
m_falloff_low_rates.update(T, logT, &m_kdata->m_rfn_low[0]);
m_falloff_high_rates.update(T, logT, &m_kdata->m_rfn_high[0]);
m_falloffn.updateTemp(T, &m_kdata->falloff_work[0]);
if (!m_kdata->m_rfn.empty()) {
m_rates.update(T, logT, &m_kdata->m_rfn[0]);
}
if (!m_kdata->m_rfn_low.empty()) {
m_falloff_low_rates.update(T, logT, &m_kdata->m_rfn_low[0]);
m_falloff_high_rates.update(T, logT, &m_kdata->m_rfn_high[0]);
}
if (!m_kdata->falloff_work.empty()) {
m_falloffn.updateTemp(T, &m_kdata->falloff_work[0]);
}
m_kdata->m_temp = T;
updateKc();
m_kdata->m_ROP_ok = false;
//}
};
}
/**
* Update properties that depend on concentrations. Currently only
@ -86,9 +89,13 @@ namespace Cantera {
_update_rates_C() {
thermo().getActivityConcentrations(&m_conc[0]);
doublereal ctot = thermo().molarDensity();
m_3b_concm.update(m_conc, ctot, &m_kdata->concm_3b_values[0]);
m_falloff_concm.update(m_conc, ctot,
if (!m_kdata->concm_3b_values.empty()) {
m_3b_concm.update(m_conc, ctot, &m_kdata->concm_3b_values[0]);
}
if (!m_kdata->concm_falloff_values.empty()) {
m_falloff_concm.update(m_conc, ctot,
&m_kdata->concm_falloff_values[0]);
}
m_kdata->m_ROP_ok = false;
}
@ -316,7 +323,9 @@ namespace Cantera {
pr[i] = fc[i] * m_rf_low[i] / m_rf_high[i];
}
m_falloffn.pr_to_falloff( &pr[0], &m_kdata->falloff_work[0] );
double* falloff_work =
(m_kdata->falloff_work.empty()) ? 0 : &m_kdata->falloff_work[0];
m_falloffn.pr_to_falloff(&pr[0], falloff_work);
for (i = 0; i < m_nfall; i++) {
pr[i] *= m_rf_high[i];
@ -344,9 +353,13 @@ namespace Cantera {
copy(rf.begin(), rf.end(), ropf.begin());
// multiply ropf by enhanced 3b conc for all 3b rxns
m_3b_concm.multiply( &ropf[0], &m_kdata->concm_3b_values[0] );
if (!m_kdata->concm_3b_values.empty()) {
m_3b_concm.multiply( &ropf[0], &m_kdata->concm_3b_values[0] );
}
processFalloffReactions();
if (m_nfall) {
processFalloffReactions();
}
// multiply by perturbation factor
multiply_each(ropf.begin(), ropf.end(), m_perturb.begin());
@ -394,13 +407,17 @@ namespace Cantera {
copy(rf.begin(), rf.end(), ropf.begin());
// multiply ropf by enhanced 3b conc for all 3b rxns
m_3b_concm.multiply(&ropf[0], &m_kdata->concm_3b_values[0] );
if (!m_kdata->concm_3b_values.empty()) {
m_3b_concm.multiply(&ropf[0], &m_kdata->concm_3b_values[0] );
}
/*
* This routine is hardcoded to replace some of the values
* of the ropf vector.
*/
processFalloffReactions();
if (m_nfall) {
processFalloffReactions();
}
// multiply by perturbation factor
multiply_each(ropf.begin(), ropf.end(), m_perturb.begin());