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[Thermo] newSpeciesThermoInterpType argument is the 'thermo' XML node

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No data from the outer 'species' node is needed to instantiate the
SpeciesThermoInterpType object, so this function can just take the 'thermo' node
directly.
This commit is contained in:
Ray Speth 2015-04-17 18:40:40 -04:00
parent 1b0970a494
commit 7d170a9989
6 changed files with 16 additions and 25 deletions
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5
include/cantera/thermo/SpeciesThermoFactory.h
View file

@ -278,11 +278,12 @@ SpeciesThermoInterpType* newSpeciesThermoInterpType(const std::string& type,
//! Create a new SpeciesThermoInterpType object from XML_Node
/*!
* @param speciesNode XML_Node defining the species (with child 'thermo' node)
* @param thermo 'thermo' XML_Node (child of the 'species' node) with child
* nodes representing parameterizations for one or more temperature ranges
* @return Returns the pointer to the newly allocated
* SpeciesThermoInterpType object
*/
SpeciesThermoInterpType* newSpeciesThermoInterpType(const XML_Node& speciesNode);
SpeciesThermoInterpType* newSpeciesThermoInterpType(const XML_Node& thermoNode);
}

3
src/thermo/LatticeSolidPhase.cpp
View file

@ -361,7 +361,8 @@ void LatticeSolidPhase::installSlavePhases(Cantera::XML_Node* phaseNode)
}
addUniqueSpecies(lp->speciesName(k), &ecomp[0], lp->charge(k),
lp->size(k));
shared_ptr<SpeciesThermoInterpType> stit(newSpeciesThermoInterpType(*spNode[k]));
shared_ptr<SpeciesThermoInterpType> stit(
newSpeciesThermoInterpType(spNode[k]->child("thermo")));
stit->validate(spNode[k]->attrib("name"));
m_spthermo->install_STIT(kk, stit);
m_speciesData.push_back(new XML_Node(*(spNode[k])));

26
src/thermo/SpeciesThermoFactory.cpp
View file

@ -570,7 +570,8 @@ void SpeciesThermoFactory::installThermoForSpecies
(size_t k, const XML_Node& speciesNode, ThermoPhase* th_ptr,
SpeciesThermo& spthermo, const XML_Node* phaseNode_ptr) const
{
shared_ptr<SpeciesThermoInterpType> stit(newSpeciesThermoInterpType(speciesNode));
shared_ptr<SpeciesThermoInterpType> stit(
newSpeciesThermoInterpType(speciesNode.child("thermo")));
stit->validate(speciesNode["name"]);
spthermo.install_STIT(k, stit);
}
@ -595,18 +596,8 @@ void SpeciesThermoFactory::installVPThermoForSpecies(size_t k,
vp_ptr->createInstallPDSS(k, speciesNode, phaseNode_ptr);
}
SpeciesThermoInterpType* newSpeciesThermoInterpType(const XML_Node& speciesNode)
SpeciesThermoInterpType* newSpeciesThermoInterpType(const XML_Node& thermo)
{
/*
* 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.
@ -619,13 +610,11 @@ SpeciesThermoInterpType* newSpeciesThermoInterpType(const XML_Node& speciesNode)
}
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 + "'.");
"Encounterd unsupported mixed species thermo parameterizations");
}
}
if ((tp.size() > 2 && thermoType != "nasa9") ||
@ -633,8 +622,7 @@ SpeciesThermoInterpType* newSpeciesThermoInterpType(const XML_Node& speciesNode)
thermoType == "mu0" ||
thermoType == "adsorbate"))) {
throw CanteraError("newSpeciesThermoInterpType",
"Too many regions in thermo parameterization for species '" +
specName + "'.");
"Too many regions in thermo parameterization.");
}
if (thermo["model"] == "MineralEQ3") {
@ -658,8 +646,8 @@ SpeciesThermoInterpType* newSpeciesThermoInterpType(const XML_Node& speciesNode)
} else if (thermoType == "statmech") {
return newStatMechThermoFromXML(*tp[0]);
} else {
throw UnknownSpeciesThermoModel("installThermoForSpecies",
specName, thermoType);
throw CanteraError("newSpeciesThermoInterpType",
"Unknown species thermo model '" + thermoType + "'.");
}
}

2
src/thermo/ThermoFactory.cpp
View file

@ -621,7 +621,7 @@ bool installSpecies(size_t k, const XML_Node& s, thermo_t& th,
vp_ptr->createInstallPDSS(k, s, phaseNode_ptr);
} else {
shared_ptr<Species> sp(new Species(s["name"], comp_map, chrg, sz));
sp->thermo.reset(newSpeciesThermoInterpType(s));
sp->thermo.reset(newSpeciesThermoInterpType(s.child("thermo")));
// Read gas-phase transport data, if provided
if (s.hasChild("transport") &&

2
src/thermo/VPSSMgr.cpp
View file

@ -394,7 +394,7 @@ void VPSSMgr::initThermoXML(XML_Node& phaseNode, const std::string& id)
void VPSSMgr::installSTSpecies(size_t k, const XML_Node& s,
const XML_Node* phaseNode_ptr)
{
shared_ptr<SpeciesThermoInterpType> stit(newSpeciesThermoInterpType(s));
shared_ptr<SpeciesThermoInterpType> stit(newSpeciesThermoInterpType(s.child("thermo")));
stit->validate(s["name"]);
m_spthermo->install_STIT(k, stit);
if (m_p0 < 0.0) {

3
src/thermo/VPSSMgr_IdealGas.cpp
View file

@ -103,7 +103,8 @@ VPSSMgr_IdealGas::createInstallPDSS(size_t k, const XML_Node& speciesNode,
m_Vss.resize(k+1, 0.0);
}
shared_ptr<SpeciesThermoInterpType> stit(newSpeciesThermoInterpType(speciesNode));
shared_ptr<SpeciesThermoInterpType> stit(
newSpeciesThermoInterpType(speciesNode.child("thermo")));
stit->validate(speciesNode["name"]);
m_spthermo->install_STIT(k, stit);