// Chose the variable pressure standard state manager
// and the reference standard state manager
VPSSMgr*
VPSSMgrFactory::newVPSSMgr(VPStandardStateTP *vp_ptr,
XML_Node* phaseNode_ptr,
std::vector<XML_Node*> & spDataNodeList) {
std::string ssManager="";
std::string vpssManager="";
VPSSMgr *vpss = 0;
// First look for any explicit instructions within the XML Database
// for the standard state manager and the variable pressure
// standard state manager
if (phaseNode_ptr) {
if (phaseNode_ptr->hasChild("thermo")) {
const XML_Node& thermoNode = phaseNode_ptr->child("thermo");
if (thermoNode.hasChild("standardStateManager")) {
const XML_Node& ssNode = thermoNode.child("standardStateManager");
ssManager = ssNode["model"];
}
if (thermoNode.hasChild("variablePressureStandardStateManager")) {
const XML_Node& vpssNode = thermoNode.child("variablePressureStandardStateManager");
vpssManager = vpssNode["model"];
}
}
}
// first get the reference state handler. If we have explicit instructions,
// use them to spawn the object.
SpeciesThermo *spth = 0;
if (ssManager != "") {
spth = newSpeciesThermoMgr(ssManager);
} else {
spth = newSpeciesThermoMgr(spDataNodeList);
}
vp_ptr->setSpeciesThermo(spth);
// Next, if we have specific directions, use them to get the VPSSSMgr object
// and return immediately
if (vpssManager != "") {
VPSSMgr_enumType type = VPSSMgr_StringConversion(vpssManager);
vpss = newVPSSMgr(type, vp_ptr);
return vpss;
}
// If it comes back as general, then there may be some unknown
// parameterizations to the SpeciesThermo factory routine.
bool haveSomeUnknowns = true;
GeneralSpeciesThermo *ttmp = dynamic_cast<GeneralSpeciesThermo *>(spth);
if (ttmp == 0) {
haveSomeUnknowns = false;
}
// Handle special cases based on the VPStandardState types
if (vp_ptr->eosType() == cVPSS_IdealGas) {
vpss = new VPSSMgr_IdealGas(vp_ptr, spth);
return vpss;
} else if (vp_ptr->eosType() == cVPSS_ConstVol) {
vpss = new VPSSMgr_ConstVol(vp_ptr, spth);
return vpss;
}
int inasaIG = 0, inasaCV = 0, ishomateIG = 0, ishomateCV = 0,
isimpleIG = 0, isimpleCV = 0,
iwater = 0, itpx = 0, iother = 0;
int ihptx = 0;
try {
getVPSSMgrTypes(spDataNodeList, inasaIG, inasaCV, ishomateIG, ishomateCV,
isimpleIG, isimpleCV, iwater, itpx, ihptx, iother);
} catch (UnknownSpeciesThermoModel) {
iother = 1;
popError();
}
if (iwater == 1) {
if (ihptx == 0) {
if (inasaIG || ishomateIG || isimpleIG) {
throw CanteraError("newVPSSMgr", "Ideal gas with liquid water");
} else {
vpss = new VPSSMgr_Water_ConstVol(vp_ptr, spth);
}
} else {
if (inasaIG || ishomateIG || isimpleIG) {
throw CanteraError("newVPSSMgr", "Ideal gas with liquid water");
} else if (inasaCV || ishomateCV || isimpleCV) {
vpss = new VPSSMgr_General(vp_ptr, spth);
} else {
vpss = new VPSSMgr_Water_HKFT(vp_ptr, spth);
}
}
}
if (vpss == 0) {
if (inasaCV || ishomateCV || isimpleCV) {
if (!inasaIG && !ishomateIG && !isimpleIG && !itpx && !ihptx && !iother) {
vpss = new VPSSMgr_ConstVol(vp_ptr, spth);
}
}
}
if (vpss == 0) {
vpss = new VPSSMgr_General(vp_ptr, spth);
}
return vpss;
}
bool importPhase(XML_Node& phase, ThermoPhase* th,
SpeciesThermoFactory* spfactory)
{
// Check the the supplied XML node in fact represents a phase.
if (phase.name() != "phase") {
throw CanteraError("importPhase",
"Current const XML_Node named, " + phase.name() +
", is not a phase element.");
}
/*
* In this section of code, we get the reference to the
* phase xml tree within the ThermoPhase object. Then,
* we clear it and fill it with the current information that
* we are about to use to construct the object. We will then
* be able to resurrect the information later by calling xml().
*/
th->setXMLdata(phase);
// set the id attribute of the phase to the 'id' attribute in the XML tree.
th->setID(phase.id());
th->setName(phase.id());
// Number of spatial dimensions. Defaults to 3 (bulk phase)
if (phase.hasAttrib("dim")) {
int idim = intValue(phase["dim"]);
if (idim < 1 || idim > 3)
throw CanteraError("importPhase",
"phase, " + th->id() +
", has unphysical number of dimensions: " + phase["dim"]);
th->setNDim(idim);
} else {
th->setNDim(3); // default
}
// Set equation of state parameters. The parameters are
// specific to each subclass of ThermoPhase, so this is done
// by method setParametersFromXML in each subclass.
const XML_Node& eos = phase.child("thermo");
if (phase.hasChild("thermo")) {
th->setParametersFromXML(eos);
} else {
throw CanteraError("importPhase",
" phase, " + th->id() +
", XML_Node does not have a \"thermo\" XML_Node");
}
VPStandardStateTP* vpss_ptr = 0;
int ssConvention = th->standardStateConvention();
if (ssConvention == cSS_CONVENTION_VPSS) {
vpss_ptr = dynamic_cast <VPStandardStateTP*>(th);
if (vpss_ptr == 0) {
throw CanteraError("importPhase",
"phase, " + th->id() + ", was VPSS, but dynamic cast failed");
}
}
// if no species thermo factory was supplied, use the default one.
if (!spfactory) {
spfactory = SpeciesThermoFactory::factory();
}
/***************************************************************
* Add the elements.
***************************************************************/
if (ssConvention != cSS_CONVENTION_SLAVE) {
installElements(*th, phase);
}
/***************************************************************
* Add the species.
*
* Species definitions may be imported from multiple
* sources. For each one, a speciesArray element must be
* present.
***************************************************************/
vector<XML_Node*> sparrays;
phase.getChildren("speciesArray", sparrays);
if (ssConvention != cSS_CONVENTION_SLAVE) {
if (sparrays.empty()) {
throw CanteraError("importPhase",
"phase, " + th->id() + ", has zero \"speciesArray\" XML nodes.\n"
+ " There must be at least one speciesArray nodes "
"with one or more species");
}
}
vector<XML_Node*> dbases;
vector_int sprule(sparrays.size(),0);
// loop over the speciesArray elements
for (size_t jsp = 0; jsp < sparrays.size(); jsp++) {
const XML_Node& speciesArray = *sparrays[jsp];
// If the speciesArray element has a child element
//
// <skip element="undeclared">
//
// then set sprule[jsp] to 1, so that any species with an undeclared
// element will be quietly skipped when importing species. Additionally,
// if the skip node has the following attribute:
//
// <skip species="duplicate">
//
// then duplicate species names will not cause Cantera to throw an
// exception. Instead, the duplicate entry will be discarded.
if (speciesArray.hasChild("skip")) {
const XML_Node& sk = speciesArray.child("skip");
string eskip = sk["element"];
if (eskip == "undeclared") {
sprule[jsp] = 1;
}
string dskip = sk["species"];
if (dskip == "duplicate") {
sprule[jsp] += 10;
}
}
// Get a pointer to the node containing the species
// definitions for the species declared in this
// speciesArray element. This may be in the local file
// containing the phase element, or may be in another
// file.
XML_Node* db = get_XML_Node(speciesArray["datasrc"], &phase.root());
if (db == 0) {
throw CanteraError("importPhase()",
" Can not find XML node for species database: "
+ speciesArray["datasrc"]);
}
// add this node to the list of species database nodes.
dbases.push_back(db);
}
// Now, collect all the species names and all the XML_Node * pointers
// for those species in a single vector. This is where we decide what
// species are to be included in the phase.
// The logic is complicated enough that we put it in a separate routine.
std::vector<XML_Node*> spDataNodeList;
std::vector<std::string> spNamesList;
std::vector<int> spRuleList;
formSpeciesXMLNodeList(spDataNodeList, spNamesList, spRuleList,
sparrays, dbases, sprule);
// Decide whether the the phase has a variable pressure ss or not
SpeciesThermo* spth = 0;
VPSSMgr* vp_spth = 0;
if (ssConvention == cSS_CONVENTION_TEMPERATURE) {
// Create a new species thermo manager. Function
// 'newSpeciesThermoMgr' looks at the species in the database
// to see what thermodynamic property parameterizations are
// used, and selects a class that can handle the
// parameterizations found.
spth = newSpeciesThermoMgr(spDataNodeList);
// install it in the phase object
th->setSpeciesThermo(spth);
} else if (ssConvention == cSS_CONVENTION_SLAVE) {
/*
* No species thermo manager for this type
*/
} else if (ssConvention == cSS_CONVENTION_VPSS) {
vp_spth = newVPSSMgr(vpss_ptr, &phase, spDataNodeList);
vpss_ptr->setVPSSMgr(vp_spth);
spth = vp_spth->SpeciesThermoMgr();
th->setSpeciesThermo(spth);
} else {
throw CanteraError("importPhase()", "unknown convention");
}
size_t k = 0;
size_t nsp = spDataNodeList.size();
if (ssConvention == cSS_CONVENTION_SLAVE) {
if (nsp > 0) {
throw CanteraError("importPhase()", "For Slave standard states, number of species must be zero: "
+ int2str(nsp));
}
}
for (size_t i = 0; i < nsp; i++) {
XML_Node* s = spDataNodeList[i];
AssertTrace(s != 0);
bool ok = installSpecies(k, *s, *th, spth, spRuleList[i],
&phase, vp_spth, spfactory);
if (ok) {
th->saveSpeciesData(k, s);
++k;
}
}
if (ssConvention == cSS_CONVENTION_SLAVE) {
th->installSlavePhases(&phase);
}
// Done adding species. Perform any required subclass-specific
// initialization.
th->initThermo();
// Perform any required subclass-specific initialization
// that requires the XML phase object
std::string id = "";
th->initThermoXML(phase, id);
return true;
}
