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Added a few constructor routines, directly from file strings.

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This commit is contained in:
Harry Moffat 2007-12-20 20:39:51 +00:00
parent 67625ed141
commit 6abac36cad
7 changed files with 115 additions and 24 deletions
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6
Cantera/src/thermo/HMWSoln.h
View file

@ -1200,7 +1200,8 @@ namespace Cantera {
//! Default Constructor
HMWSoln();
//! Full constructor for setting up the entire ThermoPhase Object
//! Construct and initialize an HMWSoln ThermoPhase object
//! directly from an asci input file
/*!
* Working constructors
*
@ -1216,7 +1217,8 @@ namespace Cantera {
*/
HMWSoln(std::string inputFile, std::string id = "");
//! Full constructor for creating the phase.
//! Construct and initialize an HMWSoln ThermoPhase object
//! directly from an XML database
/*!
* @param phaseRef XML phase node containing the description of the phase
* @param id id attribute containing the name of the phase.

14
Cantera/src/thermo/IdealSolidSolnPhase.h
View file

@ -88,8 +88,10 @@ namespace Cantera {
*/
IdealSolidSolnPhase(int formCG=0);
/**
* Constructor for IdealSolidSolnPhase.
//! Construct and initialize an IdealSolidSolnPhase ThermoPhase object
//! directly from an asci input file
/*!
*
* This constructor will also fully initialize the object.
* The generalized concentrations can have three different forms
@ -112,11 +114,9 @@ namespace Cantera {
*/
IdealSolidSolnPhase(std::string infile, std::string id="", int formCG=0);
/**
* Constructor for IdealSolidSolnPhase.
* This constructor will also fully initialize the object.
*
//! Construct and initialize an IdealSolidSolnPhase ThermoPhase object
//! directly from an XML database
/*!
* The generalized concentrations can have three different forms
* depending on the value of the member attribute m_formGC, which
* is supplied in the constructor and/or read from the data file.

39
Cantera/src/thermo/StoichSubstanceSSTP.cpp
View file

@ -39,12 +39,41 @@ namespace Cantera {
{
}
// Create and initialize a StoichSubstanceSSTP ThermoPhase object
// from an asci input file
/*
* @param infile name of the input file
* @param id name of the phase id in the file.
* If this is blank, the first phase in the file is used.
*/
StoichSubstanceSSTP::StoichSubstanceSSTP(std::string infile, std::string id) :
SingleSpeciesTP()
{
XML_Node* root = get_XML_File(infile);
if (id == "-") id = "";
XML_Node* xphase = get_XML_NameID("phase", std::string("#")+id, root);
if (!xphase) {
throw CanteraError("StoichSubstanceSSTP::StoichSubstanceSSTP",
"Couldn't find phase name in file:" + id);
}
// Check the model name to ensure we have compatibility
const XML_Node& th = xphase->child("thermo");
std::string model = th["model"];
if (model != "StoichSubstance" && model != "StoichSubstanceSSTP") {
throw CanteraError("StoichSubstanceSSTP::StoichSubstanceSSTP",
"thermo model attribute must be StoichSubstance");
}
importPhase(*xphase, this);
}
// Full Constructor.
/*
* @param phaseRef XML node pointing to a StoichSubstanceSSTP description
* @param id Id of the phase.
*/
StoichSubstanceSSTP::StoichSubstanceSSTP(XML_Node& xmlphase, std::string id) {
StoichSubstanceSSTP::StoichSubstanceSSTP(XML_Node& xmlphase, std::string id) :
SingleSpeciesTP()
{
if (id != "") {
std::string idxml = xmlphase["id"];
if (id != idxml) {
@ -54,7 +83,7 @@ namespace Cantera {
}
const XML_Node& th = xmlphase.child("thermo");
std::string model = th["model"];
if (model != "StoichSubstanceSSTP") {
if (model != "StoichSubstance" && model != "StoichSubstanceSSTP") {
throw CanteraError("StoichSubstanceSSTP::StoichSubstanceSSTP",
"thermo model attribute must be StoichSubstance");
}
@ -433,7 +462,11 @@ namespace Cantera {
* </phase>
*/
void StoichSubstanceSSTP::setParametersFromXML(const XML_Node& eosdata) {
eosdata._require("model","StoichSubstanceSSTP");
std::string model = eosdata["model"];
if (model != "StoichSubstance" && model != "StoichSubstanceSSTP") {
throw CanteraError("StoichSubstanceSSTP::StoichSubstanceSSTP",
"thermo model attribute must be StoichSubstance");
}
doublereal rho = getFloat(eosdata, "density", "-");
setDensity(rho);
}

24
Cantera/src/thermo/StoichSubstanceSSTP.h
View file

@ -26,12 +26,12 @@
namespace Cantera {
//! Class %StoichSubstanceSSTP represents a stoichiometric (fixed composition)
//! incompressible substance.
/*!
//! Class %StoichSubstanceSSTP represents a stoichiometric (fixed
//! composition) incompressible substance.
/*!
* This class internally changes the independent degree of freedom from
* density to pressure. This is necessary because the phase is incompressible.
* It uses a constant volume approximation.
* density to pressure. This is necessary because the phase is
* incompressible. It uses a constant volume approximation.
*
*
* <b> Specification of Species Standard %State Properties </b>
@ -168,10 +168,20 @@ namespace Cantera {
public:
//! Default Constructor for the StoichSubstanceSSTP class
//! Default constructor for the StoichSubstanceSSTP class
StoichSubstanceSSTP();
//! Full Constructor.
//! Construct and initialize a StoichSubstanceSSTP ThermoPhase object
//! directly from an asci input file
/*!
* @param infile name of the input file
* @param id name of the phase id in the file.
* If this is blank, the first phase in the file is used.
*/
StoichSubstanceSSTP(std::string infile, std::string id = "");
//! Construct and initialize a StoichSubstanceSSTP ThermoPhase object
//! directly from an XML database
/*!
* @param phaseRef XML node pointing to a StoichSubstanceSSTP description
* @param id Id of the phase.

41
Cantera/src/thermo/SurfPhase.cpp
View file

@ -46,12 +46,47 @@ namespace Cantera {
setNDim(2);
}
SurfPhase::SurfPhase(XML_Node& xmlphase) {
SurfPhase::SurfPhase(std::string infile, std::string id) :
ThermoPhase(),
m_n0(0.0),
m_logn0(0.0),
m_tmin(0.0),
m_tmax(0.0),
m_press(OneAtm),
m_tlast(0.0)
{
XML_Node* root = get_XML_File(infile);
if (id == "-") id = "";
XML_Node* xphase = get_XML_NameID("phase", std::string("#")+id, root);
if (!xphase) {
throw CanteraError("SurfPhase::SurfPhase",
"Couldn't find phase name in file:" + id);
}
// Check the model name to ensure we have compatibility
const XML_Node& th = xphase->child("thermo");
string model = th["model"];
if (model != "Surface" && model != "Edge") {
throw CanteraError("SurfPhase::SurfPhase",
"thermo model attribute must be Surface or Edge");
}
importPhase(*xphase, this);
}
SurfPhase::SurfPhase(XML_Node& xmlphase) :
ThermoPhase(),
m_n0(0.0),
m_logn0(0.0),
m_tmin(0.0),
m_tmax(0.0),
m_press(OneAtm),
m_tlast(0.0)
{
const XML_Node& th = xmlphase.child("thermo");
string model = th["model"];
if (model != "Surface") {
if (model != "Surface" && model != "Edge") {
throw CanteraError("SurfPhase::SurfPhase",
"thermo model attribute must be Surface");
"thermo model attribute must be Surface or Edge");
}
importPhase(xmlphase, this);
}

12
Cantera/src/thermo/SurfPhase.h
View file

@ -161,7 +161,17 @@ namespace Cantera {
*/
SurfPhase(doublereal n0 = 0.0);
//! Constructor.
//! Construct and initialize a SurfPhase ThermoPhase object
//! directly from an asci input file
/*!
* @param infile name of the input file
* @param id name of the phase id in the file.
* If this is blank, the first phase in the file is used.
*/
SurfPhase(std::string infile, std::string id);
//! Construct and initialize a SurfPhase ThermoPhase object
//! directly from an XML database
/*!
* @param xmlphase XML node pointing to a SurfPhase description
*/

3
Cantera/src/thermo/ThermoFactory.h
View file

@ -168,7 +168,8 @@ namespace Cantera {
/*!
* This routine is a wrapper around the newPhase(XML_Node) routine
* which does the work. The wrapper locates the input phase XML_Node
* in a file.
* in a file, and then instantiates the object, returning the pointer
* to the ThermoPhase object.
*
* @param infile name of the input file
* @param id name of the phase id in the file.