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Removed constructPhaseFile and constructPhaseXML methods from MargulesVPSSTP

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This commit is contained in:
Ray Speth 2012-08-08 22:16:33 +00:00
parent a777ef2480
commit 577f3c28f7
2 changed files with 26 additions and 176 deletions
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41
include/cantera/thermo/MargulesVPSSTP.h
View file

@ -405,47 +405,6 @@ public:
*/
virtual int eosType() const;
//! Initialization of a phase using an xml file
/*!
* This routine is a precursor to
* routine, which does most of the work.
*
* @param inputFile XML file containing the description of the
* phase
*
* @param id Optional parameter identifying the name of the
* phase. If none is given, the first XML
* phase element will be used.
*/
void constructPhaseFile(std::string inputFile, std::string id);
//! Import and initialize a phase
//! specification in an XML tree into the current object.
/*!
* Here we read an XML description of the phase.
* We import descriptions of the elements that make up the
* species in a phase.
* We import information about the species, including their
* reference state thermodynamic polynomials. We then freeze
* the state of the species.
*
* Then, we read the species molar volumes from the xml
* tree to finish the initialization.
*
* @param phaseNode This object must be the phase node of a
* complete XML tree
* description of the phase, including all of the
* species data. In other words while "phase" must
* point to an XML phase object, it must have
* sibling nodes "speciesData" that describe
* the species in the phase.
*
* @param id ID of the phase. If nonnull, a check is done
* to see if phaseNode is pointing to the phase
* with the correct id.
*/
void constructPhaseXML(XML_Node& phaseNode, std::string id);
/**
* @}
* @name Molar Thermodynamic Properties

161
src/thermo/MargulesVPSSTP.cpp
View file

@ -51,7 +51,7 @@ MargulesVPSSTP::MargulesVPSSTP(std::string inputFile, std::string id) :
formMargules_(0),
formTempModel_(0)
{
constructPhaseFile(inputFile, id);
initThermoFile(inputFile, id);
}
MargulesVPSSTP::MargulesVPSSTP(XML_Node& phaseRoot, std::string id) :
@ -60,7 +60,7 @@ MargulesVPSSTP::MargulesVPSSTP(XML_Node& phaseRoot, std::string id) :
formMargules_(0),
formTempModel_(0)
{
constructPhaseXML(phaseRoot, id);
importPhase(*findXMLPhase(&phaseRoot, id), this);
}
@ -148,8 +148,7 @@ MargulesVPSSTP::MargulesVPSSTP(int testProb) :
formTempModel_(0)
{
constructPhaseFile("LiKCl_liquid.xml", "");
initThermoFile("LiKCl_liquid.xml", "");
numBinaryInteractions_ = 1;
@ -219,122 +218,6 @@ int MargulesVPSSTP::eosType() const
return 0;
}
/*
* Import, construct, and initialize a phase
* specification from an XML tree into the current object.
*
* This routine is a precursor to constructPhaseXML(XML_Node*)
* routine, which does most of the work.
*
* @param infile XML file containing the description of the
* phase
*
* @param id Optional parameter identifying the name of the
* phase. If none is given, the first XML
* phase element will be used.
*/
void MargulesVPSSTP::constructPhaseFile(std::string inputFile, std::string id)
{
if ((int) inputFile.size() == 0) {
throw CanteraError("MargulesVPSSTP:constructPhaseFile",
"input file is null");
}
string path = findInputFile(inputFile);
std::ifstream fin(path.c_str());
if (!fin) {
throw CanteraError("MargulesVPSSTP:constructPhaseFile","could not open "
+path+" for reading.");
}
/*
* The phase object automatically constructs an XML object.
* Use this object to store information.
*/
XML_Node& phaseNode_XML = xml();
XML_Node* fxml = new XML_Node();
fxml->build(fin);
XML_Node* fxml_phase = findXMLPhase(fxml, id);
if (!fxml_phase) {
throw CanteraError("MargulesVPSSTP:constructPhaseFile",
"ERROR: Can not find phase named " +
id + " in file named " + inputFile);
}
fxml_phase->copy(&phaseNode_XML);
constructPhaseXML(*fxml_phase, id);
delete fxml;
}
/*
* Import, construct, and initialize a HMWSoln phase
* specification from an XML tree into the current object.
*
* Most of the work is carried out by the cantera base
* routine, importPhase(). That routine imports all of the
* species and element data, including the standard states
* of the species.
*
* Then, In this routine, we read the information
* particular to the specification of the activity
* coefficient model for the Pitzer parameterization.
*
* We also read information about the molar volumes of the
* standard states if present in the XML file.
*
* @param phaseNode This object must be the phase node of a
* complete XML tree
* description of the phase, including all of the
* species data. In other words while "phase" must
* point to an XML phase object, it must have
* sibling nodes "speciesData" that describe
* the species in the phase.
* @param id ID of the phase. If nonnull, a check is done
* to see if phaseNode is pointing to the phase
* with the correct id.
*/
void MargulesVPSSTP::constructPhaseXML(XML_Node& phaseNode, std::string id)
{
string stemp;
if ((int) id.size() > 0) {
string idp = phaseNode.id();
if (idp != id) {
throw CanteraError("MargulesVPSSTP::constructPhaseXML",
"phasenode and Id are incompatible");
}
}
/*
* Find the Thermo XML node
*/
if (!phaseNode.hasChild("thermo")) {
throw CanteraError("MargulesVPSSTP::constructPhaseXML",
"no thermo XML node");
}
XML_Node& thermoNode = phaseNode.child("thermo");
/*
* Make sure that the thermo model is Margules
*/
stemp = thermoNode.attrib("model");
string formString = lowercase(stemp);
if (formString != "margules") {
throw CanteraError("MargulesVPSSTP::constructPhaseXML",
"model name isn't Margules: " + formString);
}
/*
* Call the Cantera importPhase() function. This will import
* all of the species into the phase. This will also handle
* all of the solvent and solute standard states
*/
bool m_ok = importPhase(phaseNode, this);
if (!m_ok) {
throw CanteraError("MargulesVPSSTP::constructPhaseXML","importPhase failed ");
}
}
/*
* ------------ Molar Thermodynamic Properties ----------------------
*/
@ -672,27 +555,35 @@ void MargulesVPSSTP::initLengths()
*/
void MargulesVPSSTP::initThermoXML(XML_Node& phaseNode, std::string id)
{
string subname = "MargulesVPSSTP::initThermoXML";
string stemp;
/*
* Check on the thermo field. Must have:
* <thermo model="IdealSolidSolution" />
*/
XML_Node& thermoNode = phaseNode.child("thermo");
string mStringa = thermoNode.attrib("model");
string mString = lowercase(mStringa);
if (mString != "margules") {
throw CanteraError(subname.c_str(),
"Unknown thermo model: " + mStringa);
string subname = "MargulesVPSSTP::initThermoXML";
if ((int) id.size() > 0) {
string idp = phaseNode.id();
if (idp != id) {
throw CanteraError(subname, "phasenode and Id are incompatible");
}
}
/*
* Find the Thermo XML node
*/
if (!phaseNode.hasChild("thermo")) {
throw CanteraError(subname,
"no thermo XML node");
}
XML_Node& thermoNode = phaseNode.child("thermo");
/*
* Go get all of the coefficients and factors in the
* activityCoefficients XML block
* Make sure that the thermo model is Margules
*/
stemp = thermoNode.attrib("model");
string formString = lowercase(stemp);
if (formString != "margules") {
throw CanteraError(subname,
"model name isn't Margules: " + formString);
}
/*
* Go get all of the coefficients and factors in the
* activityCoefficients XML block