research/cantera
1
0
Fork 0
Code Issues Pull requests Projects Releases Packages Wiki Activity Actions

Check third-body efficiencies for invalid species identifiers

Browse source
This commit is contained in:
Ray Speth 2012-03-30 23:48:06 +00:00
parent 64ccd58680
commit 4650e05404
3 changed files with 33 additions and 34 deletions
Show stats Download patch file Download diff file Expand all files Collapse all files

4
include/cantera/kinetics/RxnRates.h
View file

@ -9,9 +9,11 @@
#define CT_RXNRATES_H
#include "reaction_defs.h"
#include "cantera/base/ctexceptions.h"
#include "ReactionData.h"
#include "cantera/base/ctexceptions.h"
#include "cantera/base/stringUtils.h"
namespace Cantera
{

3
src/base/ctexceptions.cpp
View file

@ -40,7 +40,8 @@ void CanteraError::save()
const char* CanteraError::what() const throw() {
try {
formattedMessage_ = stars;
formattedMessage_ = "\n";
formattedMessage_ += stars;
formattedMessage_ += getClass() + " thrown by " + procedure_ + ":\n" + getMessage();
if (formattedMessage_.compare(formattedMessage_.size()-1, 1, "\n")) {
formattedMessage_.append("\n");

60
src/kinetics/importKinetics.cpp
View file

@ -478,7 +478,6 @@ static void getFalloff(const XML_Node& f, ReactionData& rdata)
*/
static void getEfficiencies(const XML_Node& eff, Kinetics& kin, ReactionData& rdata)
{
// set the default collision efficiency
rdata.default_3b_eff = fpValue(eff["default"]);
@ -489,6 +488,11 @@ static void getEfficiencies(const XML_Node& eff, Kinetics& kin, ReactionData& rd
for (size_t n = 0; n < key.size(); n++) { // ; bb != ee; ++bb) {
nm = key[n];// bb->first;
size_t k = kin.kineticsSpeciesIndex(nm, phse);
if (k == npos) {
throw CanteraError("getEfficiencies", "Encountered third-body "
"efficiency for undefined species \"" + nm + "\"\n"
"while adding reaction " + int2str(rdata.number+1) + ".");
}
rdata.thirdBodyEfficiencies[k] = fpValue(val[n]); // bb->second;
}
}
@ -1183,39 +1187,31 @@ bool buildSolutionFromXML(XML_Node& root, std::string id, std::string nm,
ThermoPhase* th, Kinetics* k)
{
XML_Node* x;
try {
x = get_XML_NameID(nm, string("#")+id, &root);
// x = get_XML_Node(string("#")+id, &root);
if (!x) {
return false;
}
/*
* Fill in the ThermoPhase object by querying the
* const XML_Node tree located at x.
*/
importPhase(*x, th);
/*
* Create a vector of ThermoPhase pointers of length 1
* having the current th ThermoPhase as the entry.
*/
vector<ThermoPhase*> phases(1);
phases[0] = th;
/*
* Fill in the kinetics object k, by querying the
* const XML_Node tree located by x. The source terms and
* eventually the source term vector will be constructed
* from the list of ThermoPhases in the vector, phases.
*/
importKinetics(*x, phases, k);
return true;
} catch (CanteraError& err) {
err.save();
throw CanteraError("buildSolutionFromXML","error encountered");
x = get_XML_NameID(nm, string("#")+id, &root);
// x = get_XML_Node(string("#")+id, &root);
if (!x) {
return false;
}
/*
* Fill in the ThermoPhase object by querying the
* const XML_Node tree located at x.
*/
importPhase(*x, th);
/*
* Create a vector of ThermoPhase pointers of length 1
* having the current th ThermoPhase as the entry.
*/
vector<ThermoPhase*> phases(1);
phases[0] = th;
/*
* Fill in the kinetics object k, by querying the
* const XML_Node tree located by x. The source terms and
* eventually the source term vector will be constructed
* from the list of ThermoPhases in the vector, phases.
*/
importKinetics(*x, phases, k);
return true;
}
}