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Added a Check between the input charge and the composition of

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the "E" element. At this point there doesn't seem to be
a reason to let meaning of the definition of charge() and the elemental
composition of E in each species to diverge.
This commit is contained in:
Harry Moffat 2007-05-20 22:21:07 +00:00
parent 39d60dd2d1
commit 705d934080
4 changed files with 22 additions and 9 deletions
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13
Cantera/src/thermo/Constituents.cpp
View file

@ -294,6 +294,19 @@ namespace Cantera {
double wt = 0.0;
int m_mm = m_Elements->nElements();
const vector_fp &aw = m_Elements->atomicWeights();
if (charge != 0.0) {
int eindex = m_Elements->elementIndex("E");
if (eindex >= 0) {
doublereal ecomp = comp[eindex];
if (fabs (charge + ecomp) > 0.001) {
throw CanteraError("Constituents::addSpecies",
"Input charge and element E compositions differ for species " + name);
}
} else {
throw CanteraError("Constituents::addSpecies",
"Input charge and element E compositions differ for species " + name);
}
}
for (int m = 0; m < m_mm; m++) {
m_speciesComp.push_back(comp[m]);
wt += comp[m] * aw[m];

10
Cantera/src/thermo/SpeciesThermoFactory.cpp
View file

@ -394,7 +394,7 @@ namespace Cantera {
getFloatArray(f0.child("floatArray"), c1, false);
}
else {
throw CanteraError("installShomateThermo",
throw CanteraError("installShomateThermoFromXML",
"non-continuous temperature ranges.");
}
array_fp c(15);
@ -443,7 +443,7 @@ namespace Cantera {
* before processing. Throw an error if not there.
*/
if (!(s.hasChild("thermo"))) {
throw UnknownSpeciesThermoModel("installSpecies",
throw UnknownSpeciesThermoModel("installThermoForSpecies",
s["name"], "<nonexistent>");
}
const XML_Node& thermo = s.child("thermo");
@ -464,7 +464,7 @@ namespace Cantera {
installMu0ThermoFromXML(s["name"], spthermo, k, f);
}
else {
throw UnknownSpeciesThermoModel("installSpecies",
throw UnknownSpeciesThermoModel("installThermoForSpecies",
s["name"], f->name());
}
}
@ -478,13 +478,13 @@ namespace Cantera {
installShomateThermoFromXML(s["name"], spthermo, k, f0, f1);
}
else {
throw UnknownSpeciesThermoModel("installSpecies", s["name"],
throw UnknownSpeciesThermoModel("installThermoForSpecies", s["name"],
f0->name() + " and "
+ f1->name());
}
}
else {
throw UnknownSpeciesThermoModel("installSpecies", s["name"],
throw UnknownSpeciesThermoModel("installThermoForSpecies", s["name"],
"multiple");
}
}

6
Cantera/src/thermo/WaterPDSS.cpp
View file

@ -351,8 +351,10 @@ namespace Cantera {
#endif
doublereal dd = m_sub->density(T, p, waterState, dens);
if (dd <= 0.0) {
printf("throw an error\n");
throw CanteraError("WaterPDSS:pressure", "Failed to set water state");
std::string stateString = "T = " +
fp2str(T) + " K and p = " + fp2str(p) + " Pa";
throw CanteraError("WaterPDSS:setPressure()",
"Failed to set water SS state: " + stateString);
}
m_dens = dd;
}

2
Cantera/src/thermo/phasereport.cpp
View file

@ -18,8 +18,6 @@ namespace Cantera {
* Format a summary of the mixture state for output.
*/
string report(const ThermoPhase& th, bool show_thermo) {
cout << "in report... " << th.name() << endl;
cout << "nSpecies = " << th.nSpecies() << endl;
char p[200];
string s = "";
try {