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Implement factory functions for SpeciesThermoInterpType

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This commit is contained in:
Ray Speth 2014-10-17 23:44:42 +00:00
parent 5bc4a12e2e
commit 11caddea1e
9 changed files with 120 additions and 58 deletions
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2
include/cantera/thermo/Nasa9PolyMultiTempRegion.h
View file

@ -72,6 +72,8 @@ public:
virtual int reportType() const;
virtual void setIndex(size_t index);
virtual size_t temperaturePolySize() const { return 7; }
virtual void updateTemperaturePoly(double T, double* T_poly) const;

8
include/cantera/thermo/NasaPoly2.h
View file

@ -109,6 +109,12 @@ public:
return NASA2;
}
virtual void setIndex(size_t index) {
SpeciesThermoInterpType::setIndex(index);
mnp_low.setIndex(index);
mnp_high.setIndex(index);
}
virtual size_t temperaturePolySize() const { return 6; }
virtual void updateTemperaturePoly(double T, double* T_poly) const {
@ -197,7 +203,7 @@ public:
mnp_high.modifyOneHf298(k, hnew);
}
double checkContinuity(const std::string& name="<unknown>");
void validate(const std::string& name);
protected:
//! Midrange temperature

6
include/cantera/thermo/ShomatePoly.h
View file

@ -360,6 +360,12 @@ public:
return SHOMATE2;
}
virtual void setIndex(size_t index) {
SpeciesThermoInterpType::setIndex(index);
msp_low.setIndex(index);
msp_high.setIndex(index);
}
virtual size_t temperaturePolySize() const { return 7; }
virtual void updateTemperaturePoly(double T, double* T_poly) const {

29
include/cantera/thermo/SpeciesThermoFactory.h
View file

@ -269,8 +269,33 @@ SpeciesThermo* newSpeciesThermoMgr(const std::string& stype,
SpeciesThermo* newSpeciesThermoMgr(std::vector<XML_Node*> spDataNodeList,
SpeciesThermoFactory* f=0);
//! Create a new SpeciesThermoInterpType object given a corresponding constant.
/*!
* @param type A constant specifying the type to be created
* @param tlow The lowest temperature at which the parameterization is valid
* @param thigh The highest temperature at which the parameterization is valid
* @param pref The reference pressure for the parameterization
* @param coeffs The array of coefficients for the parameterization
* @return Returns the pointer to the newly allocated
* SpeciesThermoInterpType object
*/
SpeciesThermoInterpType* newSpeciesThermoInterpType(int type, double tlow,
double thigh, double pref, const double* coeffs);
//! Create a new SpeciesThermoInterpType object given a string
/*!
* @param type String name for the species thermo type
* @param tlow The lowest temperature at which the parameterization is valid
* @param thigh The highest temperature at which the parameterization is valid
* @param pref The reference pressure for the parameterization
* @param coeffs The array of coefficients for the parameterization
* @return Returns the pointer to the newly allocated
* SpeciesThermoInterpType object
*/
SpeciesThermoInterpType* newSpeciesThermoInterpType(const std::string& type,
double tlow, double thigh, double pref, const double* coeffs);
}
#endif

8
include/cantera/thermo/SpeciesThermoInterpType.h
View file

@ -187,6 +187,10 @@ public:
return m_Pref;
}
//! Check for problems with the parameterization, and generate warnings or
//! throw and exception if any are found.
virtual void validate(const std::string& name) {}
//! Returns an integer representing the type of parameterization
virtual int reportType() const = 0;
@ -195,6 +199,10 @@ public:
return m_index;
}
virtual void setIndex(size_t index) {
m_index = index;
}
//! Number of terms in the temperature polynomial for this parameterization
virtual size_t temperaturePolySize() const { return 1; }

45
src/thermo/GeneralSpeciesThermo.cpp
View file

@ -7,13 +7,7 @@
// Copyright 2001-2004 California Institute of Technology
#include "cantera/thermo/GeneralSpeciesThermo.h"
#include "cantera/thermo/NasaPoly1.h"
#include "cantera/thermo/NasaPoly2.h"
#include "cantera/thermo/ShomatePoly.h"
#include "cantera/thermo/ConstCpPoly.h"
#include "cantera/thermo/Mu0Poly.h"
#include "cantera/thermo/AdsorbateThermo.h"
#include "cantera/thermo/StatMech.h"
#include "cantera/thermo/SpeciesThermoFactory.h"
namespace Cantera
{
@ -107,39 +101,10 @@ void GeneralSpeciesThermo::install(const std::string& name,
/*
* Create the necessary object
*/
SpeciesThermoInterpType* sp;
switch (type) {
case NASA1:
sp = new NasaPoly1(index, minTemp_, maxTemp_, refPressure_, c);
break;
case SHOMATE1:
sp = new ShomatePoly(index, minTemp_, maxTemp_, refPressure_, c);
break;
case CONSTANT_CP:
case SIMPLE:
sp = new ConstCpPoly(index, minTemp_, maxTemp_, refPressure_, c);
break;
case MU0_INTERP:
sp = new Mu0Poly(index, minTemp_, maxTemp_, refPressure_, c);
break;
case SHOMATE2:
sp = new ShomatePoly2(index, minTemp_, maxTemp_, refPressure_, c);
break;
case NASA2:
sp = new NasaPoly2(index, minTemp_, maxTemp_, refPressure_, c);
dynamic_cast<NasaPoly2*>(sp)->checkContinuity(name);
break;
case STAT:
sp = new StatMech(index, minTemp_, maxTemp_, refPressure_, c, name);
break;
case ADSORBATE:
sp = new Adsorbate(index, minTemp_, maxTemp_, refPressure_, c);
break;
default:
throw CanteraError("GeneralSpeciesThermo::install",
"unknown species type: " + int2str(type));
}
SpeciesThermoInterpType* sp = newSpeciesThermoInterpType(type,
minTemp_, maxTemp_, refPressure_, c);
sp->setIndex(index);
sp->validate(name);
install_STIT(sp);
}

7
src/thermo/Nasa9PolyMultiTempRegion.cpp
View file

@ -113,6 +113,13 @@ int Nasa9PolyMultiTempRegion::reportType() const
return NASA9MULTITEMP;
}
void Nasa9PolyMultiTempRegion::setIndex(size_t index) {
SpeciesThermoInterpType::setIndex(index);
for (size_t i = 0; i < m_numTempRegions; i++) {
m_regionPts[i]->setIndex(index);
}
}
void Nasa9PolyMultiTempRegion::updateTemperaturePoly(double T, double* T_poly) const
{
T_poly[0] = T;

6
src/thermo/NasaPoly2.cpp
View file

@ -4,7 +4,7 @@
namespace Cantera {
double NasaPoly2::checkContinuity(const std::string& name)
void NasaPoly2::validate(const std::string& name)
{
size_t offset = mnp_low.speciesIndex();
double cp_low, h_low, s_low;
@ -15,7 +15,6 @@ double NasaPoly2::checkContinuity(const std::string& name)
&h_high - offset, &s_high - offset);
double delta = cp_low - cp_high;
double maxError = std::abs(delta);
if (fabs(delta/(fabs(cp_low)+1.0E-4)) > 0.001) {
writelog("\n\n**** WARNING ****\nFor species "+name+
", discontinuity in cp/R detected at Tmid = "
@ -28,7 +27,6 @@ double NasaPoly2::checkContinuity(const std::string& name)
// enthalpy
delta = h_low - h_high;
maxError = std::max(std::abs(delta), maxError);
if (fabs(delta/(fabs(h_low)+cp_low*m_midT)) > 0.001) {
writelog("\n\n**** WARNING ****\nFor species "+name+
", discontinuity in h/RT detected at Tmid = "
@ -41,7 +39,6 @@ double NasaPoly2::checkContinuity(const std::string& name)
// entropy
delta = s_low - s_high;
maxError = std::max(std::abs(delta), maxError);
if (fabs(delta/(fabs(s_low)+cp_low)) > 0.001) {
writelog("\n\n**** WARNING ****\nFor species "+name+
", discontinuity in s/R detected at Tmid = "
@ -51,7 +48,6 @@ double NasaPoly2::checkContinuity(const std::string& name)
writelog("\tValue computed using high-temperature polynomial: "
+fp2str(s_high)+".\n");
}
return maxError;
}
}

67
src/thermo/SpeciesThermoFactory.cpp
View file

@ -17,7 +17,8 @@
#include "cantera/thermo/Nasa9PolyMultiTempRegion.h"
#include "cantera/thermo/Nasa9Poly1.h"
#include "cantera/thermo/StatMech.h"
#include "cantera/thermo/NasaPoly2.h"
#include "cantera/thermo/ConstCpPoly.h"
#include "cantera/thermo/AdsorbateThermo.h"
#include "cantera/thermo/SpeciesThermoMgr.h"
#include "cantera/thermo/speciesThermoTypes.h"
@ -97,15 +98,6 @@ static void getSpeciesThermoTypes(std::vector<XML_Node*> & spDataNodeList,
}
}
//! Static method to return an instance of this class
/*!
* This class is implemented as a singleton -- one in which
* only one instance is needed. The recommended way to access
* the factory is to call this static method, which
* instantiates the class if it is the first call, but
* otherwise simply returns the pointer to the existing
* instance.
*/
SpeciesThermoFactory* SpeciesThermoFactory::factory()
{
ScopedLock lock(species_thermo_mutex);
@ -192,6 +184,61 @@ SpeciesThermo* SpeciesThermoFactory::newSpeciesThermoManager(const std::string&
return (SpeciesThermo*) 0;
}
SpeciesThermoInterpType* newSpeciesThermoInterpType(int type, double tlow,
double thigh, double pref, const double* coeffs)
{
switch (type) {
case NASA1:
return new NasaPoly1(0, tlow, thigh, pref, coeffs);
case SHOMATE1:
return new ShomatePoly(0, tlow, thigh, pref, coeffs);
case CONSTANT_CP:
case SIMPLE:
return new ConstCpPoly(0, tlow, thigh, pref, coeffs);
case MU0_INTERP:
return new Mu0Poly(0, tlow, thigh, pref, coeffs);
case SHOMATE2:
return new ShomatePoly2(0, tlow, thigh, pref, coeffs);
case NASA2:
return new NasaPoly2(0, tlow, thigh, pref, coeffs);
case ADSORBATE:
return new Adsorbate(0, tlow, thigh, pref, coeffs);
default:
throw CanteraError("newSpeciesThermoInterpType",
"Unknown species thermo type: " + int2str(type) + ".");
}
}
SpeciesThermoInterpType* newSpeciesThermoInterpType(const std::string& stype,
double tlow, double thigh, double pref, const double* coeffs)
{
int itype = -1;
std::string type = lowercase(stype);
if (type == "nasa2" || type == "nasa") {
itype = NASA2; // two-region 7-coefficient NASA polynomials
} else if (type == "const_cp" || type == "simple") {
itype = CONSTANT_CP;
} else if (type == "shomate" || type == "shomate1") {
itype = SHOMATE1; // single-region Shomate polynomial
} else if (type == "shomate2") {
itype = SHOMATE2; // two-region Shomate polynomials
} else if (type == "nasa1") {
itype = NASA1; // single-region, 7-coefficient NASA polynomial
} else if (type == "nasa9") {
itype = NASA9; // single-region, 9-coefficient NASA polynomial
} else if (type == "nasa9multi") {
itype = NASA9MULTITEMP; // multi-region, 9-coefficient NASA polynomials
} else if (type == "mu0") {
itype = MU0_INTERP;
} else if (type == "adsorbate") {
itype = ADSORBATE;
} else {
throw CanteraError("newSpeciesThermoInterpType",
"Unknown species thermo type: '" + stype + "'.");
}
return newSpeciesThermoInterpType(itype, tlow, thigh, pref, coeffs);
}
//! Install a NASA polynomial thermodynamic property parameterization for species k into a SpeciesThermo instance.
/*!
* This is called by method installThermoForSpecies if a NASA block is found in the XML input.