SpeciesThermoInterpType* newSpeciesThermoInterpType(const XML_Node& thermo)
{
// Get the children of the thermo XML node. In the next bit of code we take out the comments that
// may have been children of the thermo XML node by doing a selective copy.
// These shouldn't interfere with the algorithm at any point.
const std::vector<XML_Node*>& tpWC = thermo.children();
std::vector<XML_Node*> tp;
for (size_t i = 0; i < tpWC.size(); i++) {
if (!(tpWC[i])->isComment()) {
tp.push_back(tpWC[i]);
}
}
std::string thermoType = lowercase(tp[0]->name());
for (size_t i = 1; i < tp.size(); i++) {
if (lowercase(tp[i]->name()) != thermoType) {
throw CanteraError("newSpeciesThermoInterpType",
"Encountered unsupported mixed species thermo parameterizations");
}
}
if ((tp.size() > 2 && thermoType != "nasa9") ||
(tp.size() > 1 && (thermoType == "const_cp" ||
thermoType == "mu0" ||
thermoType == "adsorbate"))) {
throw CanteraError("newSpeciesThermoInterpType",
"Too many regions in thermo parameterization.");
}
std::string model = lowercase(thermo["model"]);
if (model == "mineraleq3") {
if (thermoType != "mineq3") {
throw CanteraError("SpeciesThermoFactory::installThermoForSpecies",
"confused: expected MinEQ3");
}
return newShomateForMineralEQ3(*tp[0]);
} else if (thermoType == "shomate") {
return newShomateThermoFromXML(tp);
} else if (thermoType == "const_cp") {
return newConstCpThermoFromXML(*tp[0]);
} else if (thermoType == "nasa") {
return newNasaThermoFromXML(tp);
} else if (thermoType == "mu0") {
return newMu0ThermoFromXML(*tp[0]);
} else if (thermoType == "nasa9") {
return newNasa9ThermoFromXML(tp);
} else if (thermoType == "adsorbate") {
return newAdsorbateThermoFromXML(*tp[0]);
} else if (thermoType == "statmech") {
return newStatMechThermoFromXML(*tp[0]);
} else if (model == "hkft" || model == "ionfromneutral") {
// Some PDSS species use the 'thermo' node, but don't specify a
// SpeciesThermoInterpType parameterization. This function needs to just
// ignore this data.
return 0;
} else {
throw CanteraError("newSpeciesThermoInterpType",
"Unknown species thermo model '" + thermoType + "'.");
}
}
SpeciesThermoInterpType* newSpeciesThermoInterpType(const XML_Node& speciesNode)
{
/*
* Check to see that the species block has a thermo block
* before processing. Throw an error if not there.
*/
if (!(speciesNode.hasChild("thermo"))) {
throw UnknownSpeciesThermoModel("installThermoForSpecies",
speciesNode["name"], "<nonexistent>");
}
const XML_Node& thermo = speciesNode.child("thermo");
// Get the children of the thermo XML node. In the next bit of code we take out the comments that
// may have been children of the thermo XML node by doing a selective copy.
// These shouldn't interfere with the algorithm at any point.
const std::vector<XML_Node*>& tpWC = thermo.children();
std::vector<XML_Node*> tp;
for (size_t i = 0; i < tpWC.size(); i++) {
if (!(tpWC[i])->isComment()) {
tp.push_back(tpWC[i]);
}
}
std::string thermoType = lowercase(tp[0]->name());
std::string specName = speciesNode["name"];
for (size_t i = 1; i < tp.size(); i++) {
if (lowercase(tp[i]->name()) != thermoType) {
throw CanteraError("newSpeciesThermoInterpType",
"Encounter unsupported mixed species thermo parameterizations "
"for species '" + specName + "'.");
}
}
if ((tp.size() > 2 && thermoType != "nasa9") ||
(tp.size() > 1 && (thermoType == "const_cp" ||
thermoType == "mu0" ||
thermoType == "adsorbate"))) {
throw CanteraError("newSpeciesThermoInterpType",
"Too many regions in thermo parameterization for species '" +
specName + "'.");
}
if (thermo["model"] == "MineralEQ3") {
if (thermoType != "mineq3") {
throw CanteraError("SpeciesThermoFactory::installThermoForSpecies",
"confused: expedted MinEQ3");
}
return newShomateForMineralEQ3(specName, *tp[0]);
} else if (thermoType == "shomate") {
return newShomateThermoFromXML(specName, tp);
} else if (thermoType == "const_cp") {
return newConstCpThermoFromXML(specName, *tp[0]);
} else if (thermoType == "nasa") {
return newNasaThermoFromXML(specName, tp);
} else if (thermoType == "mu0") {
return newMu0ThermoFromXML(specName, *tp[0]);
} else if (thermoType == "nasa9") {
return newNasa9ThermoFromXML(specName, tp);
} else if (thermoType == "adsorbate") {
return newAdsorbateThermoFromXML(specName, *tp[0]);
} else if (thermoType == "statmech") {
return newStatMechThermoFromXML(specName, *tp[0]);
} else {
throw UnknownSpeciesThermoModel("installThermoForSpecies",
specName, thermoType);
}
}
