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[Thermo] Move shared methods to SpeciesThermoInterpType base class

Browse source 
Almost every class derived from SpeciesThermoInterpType used the same
implementation of the minTemp, maxTemp, refPressure, and speciesIndex,
so it makes more sense to just implement these in the base class.
This commit is contained in:
Ray Speth 2013-07-23 15:30:56 +00:00
parent 4d406f2ff4
commit d129d74289
16 changed files with 108 additions and 483 deletions
Show stats Download patch file Download diff file Expand all files Collapse all files

41
include/cantera/thermo/AdsorbateThermo.h
View file

@ -32,11 +32,8 @@ class Adsorbate : public SpeciesThermoInterpType
public:
//! Empty constructor
Adsorbate()
: m_lowT(0.0),
m_highT(0.0),
m_index(0),
m_nFreqs(0) {
Adsorbate() :
m_nFreqs(0) {
}
//! Full Constructor
@ -47,9 +44,9 @@ public:
* @param pref output - reference pressure (Pa).
*/
Adsorbate(size_t n, doublereal tlow, doublereal thigh, doublereal pref,
const doublereal* coeffs) : m_lowT(tlow),
m_highT(thigh),
m_index(n) {
const doublereal* coeffs)
: SpeciesThermoInterpType(n, tlow, thigh, pref)
{
m_nFreqs = int(coeffs[0]);
m_be = coeffs[1];
m_freq.resize(m_nFreqs);
@ -58,10 +55,6 @@ public:
/// Copy Constructor
Adsorbate(const Adsorbate& b) :
m_lowT(b.m_lowT),
m_highT(b.m_highT),
m_Pref(b.m_Pref),
m_index(b.m_index),
m_be(b.m_be) {
m_nFreqs = b.m_nFreqs;
std::copy(b.m_freq.begin(), b.m_freq.begin() + m_nFreqs,
@ -89,26 +82,10 @@ public:
m_Pref = refPressure_;
}
virtual doublereal minTemp() const {
return m_lowT;
}
virtual doublereal maxTemp() const {
return m_highT;
}
virtual doublereal refPressure() const {
return OneAtm;
}
virtual int reportType() const {
return ADSORBATE;
}
virtual size_t speciesIndex() const {
return m_index;
}
void updatePropertiesTemp(const doublereal temp,
doublereal* cp_R,
doublereal* h_RT,
@ -138,14 +115,6 @@ public:
}
protected:
//! lowest valid temperature
doublereal m_lowT;
//! Highest valid temperature
doublereal m_highT;
//! Reference state pressure
doublereal m_Pref;
//! species index
size_t m_index;
size_t m_nFreqs;
//! array of vib frequencies
vector_fp m_freq;

18
include/cantera/thermo/Mu0Poly.h
View file

@ -112,18 +112,10 @@ public:
virtual SpeciesThermoInterpType*
duplMyselfAsSpeciesThermoInterpType() const;
virtual doublereal minTemp() const;
virtual doublereal maxTemp() const;
virtual doublereal refPressure() const;
virtual int reportType() const {
return MU0_INTERP;
}
virtual size_t speciesIndex() const {
return m_index;
}
//! Update the properties for this species, given a temperature polynomial
/*!
* This method is called with a pointer to an array containing the functions of
@ -191,16 +183,6 @@ protected:
//! Heat capacity at the points
vector_fp m_cp0_R_int;
//! Limiting low temperature
doublereal m_lowT;
//! Limiting high temperature
doublereal m_highT;
//! Reference pressure
doublereal m_Pref;
//! Species index
size_t m_index;
private:
//! process the coefficients

12
include/cantera/thermo/Nasa9Poly1.h
View file

@ -99,11 +99,7 @@ public:
virtual SpeciesThermoInterpType*
duplMyselfAsSpeciesThermoInterpType() const;
virtual doublereal minTemp() const;
virtual doublereal maxTemp() const;
virtual doublereal refPressure() const;
virtual int reportType() const;
virtual size_t speciesIndex() const;
//! Update the properties for this species, given a temperature polynomial
/*!
@ -189,14 +185,6 @@ public:
virtual void modifyParameters(doublereal* coeffs);
protected:
//! lowest valid temperature
doublereal m_lowT;
//! highest valid temperature
doublereal m_highT;
//! standard-state pressure
doublereal m_Pref;
//! species index
size_t m_index;
//! array of polynomial coefficients
vector_fp m_coeff;
};

46
include/cantera/thermo/NasaPoly1.h
View file

@ -15,6 +15,7 @@
#include "cantera/base/global.h"
#include "SpeciesThermoInterpType.h"
#include <iostream>
namespace Cantera
{
@ -49,8 +50,7 @@ class NasaPoly1 : public SpeciesThermoInterpType
public:
//! Empty constructor
NasaPoly1()
: m_lowT(0.0), m_highT(0.0),
m_Pref(0.0), m_index(0), m_coeff(7, 0.0) {}
: m_coeff(7, 0.0) {}
//! constructor used in templated instantiations
/*!
@ -63,10 +63,7 @@ public:
*/
NasaPoly1(size_t n, doublereal tlow, doublereal thigh, doublereal pref,
const doublereal* coeffs) :
m_lowT(tlow),
m_highT(thigh),
m_Pref(pref),
m_index(n),
SpeciesThermoInterpType(n, tlow, thigh, pref),
m_coeff(vector_fp(7)) {
std::copy(coeffs, coeffs + 7, m_coeff.begin());
}
@ -76,11 +73,9 @@ public:
* @param b object to be copied
*/
NasaPoly1(const NasaPoly1& b) :
m_lowT(b.m_lowT),
m_highT(b.m_highT),
m_Pref(b.m_Pref),
m_index(b.m_index),
m_coeff(vector_fp(7)) {
SpeciesThermoInterpType(b),
m_coeff(vector_fp(7))
{
std::copy(b.m_coeff.begin(),
b.m_coeff.begin() + 7,
m_coeff.begin());
@ -92,10 +87,7 @@ public:
*/
NasaPoly1& operator=(const NasaPoly1& b) {
if (&b != this) {
m_lowT = b.m_lowT;
m_highT = b.m_highT;
m_Pref = b.m_Pref;
m_index = b.m_index;
SpeciesThermoInterpType::operator=(b);
std::copy(b.m_coeff.begin(),
b.m_coeff.begin() + 7,
m_coeff.begin());
@ -109,26 +101,10 @@ public:
return (SpeciesThermoInterpType*) np;
}
virtual doublereal minTemp() const {
return m_lowT;
}
virtual doublereal maxTemp() const {
return m_highT;
}
virtual doublereal refPressure() const {
return m_Pref;
}
virtual int reportType() const {
return NASA1;
}
virtual size_t speciesIndex() const {
return m_index;
}
//! Update the properties for this species, given a temperature polynomial
/*!
* This method is called with a pointer to an array containing the
@ -258,14 +234,6 @@ public:
#endif
protected:
//! lowest valid temperature
doublereal m_lowT;
//! highest valid temperature
doublereal m_highT;
//! standard-state pressure
doublereal m_Pref;
//! species index
size_t m_index;
//! array of polynomial coefficients
vector_fp m_coeff;
};

40
include/cantera/thermo/SpeciesThermoInterpType.h
View file

@ -161,6 +161,14 @@ public:
//! Constructor
SpeciesThermoInterpType();
//! Constructor
SpeciesThermoInterpType(size_t n, doublereal tlow,
doublereal thigh, doublereal pref) :
m_lowT(tlow),
m_highT(thigh),
m_Pref(pref),
m_index(n) {}
//! Destructor
virtual ~SpeciesThermoInterpType();
@ -170,20 +178,28 @@ public:
//! Returns the minimum temperature that the thermo
//! parameterization is valid
virtual doublereal minTemp() const = 0;
virtual doublereal minTemp() const {
return m_lowT;
}
//! Returns the maximum temperature that the thermo
//! parameterization is valid
virtual doublereal maxTemp() const = 0;
virtual doublereal maxTemp() const {
return m_highT;
}
//! Returns the reference pressure (Pa)
virtual doublereal refPressure() const = 0;
virtual doublereal refPressure() const {
return m_Pref;
}
//! Returns an integer representing the type of parameterization
virtual int reportType() const = 0;
//! Returns an integer representing the species index
virtual size_t speciesIndex() const = 0;
virtual size_t speciesIndex() const {
return m_index;
}
//! Update the properties for this species, given a temperature polynomial
/*!
@ -275,6 +291,16 @@ public:
virtual void modifyOneHf298(const int k, const doublereal Hf298New);
#endif
protected:
//! lowest valid temperature
doublereal m_lowT;
//! Highest valid temperature
doublereal m_highT;
//! Reference state pressure
doublereal m_Pref;
//! species index
size_t m_index;
};
//! Class for the thermodynamic manager for an individual species' reference state
@ -346,9 +372,6 @@ public:
//! Returns an integer representing the type of parameterization
virtual int reportType() const;
//! Returns an integer representing the species index
virtual size_t speciesIndex() const;
virtual void updateProperties(const doublereal* tempPoly,
doublereal* cp_R, doublereal* h_RT,
doublereal* s_R) const;
@ -377,9 +400,6 @@ private:
* This object is not owned by the current one.
*/
PDSS* m_PDSS_ptr;
//! Species index within the phase
size_t m_speciesIndex;
};
}

25
include/cantera/thermo/StatMech.h
View file

@ -19,7 +19,7 @@
namespace Cantera
{
// Statistical mechanics
//! Statistical mechanics
/*!
* @ingroup spthermo
*/
@ -60,23 +60,8 @@ public:
virtual SpeciesThermoInterpType*
duplMyselfAsSpeciesThermoInterpType() const;
//! Returns the minimum temperature that the thermo
//! parameterization is valid
virtual doublereal minTemp() const;
//! Returns the maximum temperature that the thermo
//! parameterization is valid
virtual doublereal maxTemp() const;
//! Returns the reference pressure (Pa)
virtual doublereal refPressure() const;
//! Returns an integer representing the type of parameterization
virtual int reportType() const;
//! Returns an integer representing the species index
virtual size_t speciesIndex() const;
//! Build a series of maps for the properties needed for species
int buildmap();
@ -156,14 +141,6 @@ public:
virtual void modifyParameters(doublereal* coeffs);
protected:
//! lowest valid temperature
doublereal m_lowT;
//! highest valid temperature
doublereal m_highT;
//! standard-state pressure
doublereal m_Pref;
//! species index
int m_index;
//! array of polynomial coefficients
vector_fp m_coeff;

36
src/thermo/ConstCpPoly.cpp
View file

@ -15,21 +15,14 @@ ConstCpPoly::ConstCpPoly()
m_cp0_R(0.0),
m_h0_R(0.0),
m_s0_R(0.0),
m_logt0(0.0),
m_lowT(0.0),
m_highT(0.0),
m_Pref(0.0),
m_index(0)
m_logt0(0.0)
{
}
ConstCpPoly::ConstCpPoly(size_t n, doublereal tlow, doublereal thigh,
doublereal pref,
const doublereal* coeffs) :
m_lowT(tlow),
m_highT(thigh),
m_Pref(pref),
m_index(n)
SpeciesThermoInterpType(n, tlow, thigh, pref)
{
m_t0 = coeffs[0];
m_h0_R = coeffs[1] / GasConstant;
@ -39,15 +32,12 @@ ConstCpPoly::ConstCpPoly(size_t n, doublereal tlow, doublereal thigh,
}
ConstCpPoly::ConstCpPoly(const ConstCpPoly& b) :
SpeciesThermoInterpType(b),
m_t0(b.m_t0),
m_cp0_R(b.m_cp0_R),
m_h0_R(b.m_h0_R),
m_s0_R(b.m_s0_R),
m_logt0(b.m_logt0),
m_lowT(b.m_lowT),
m_highT(b.m_highT),
m_Pref(b.m_Pref),
m_index(b.m_index)
m_logt0(b.m_logt0)
{
}
@ -59,10 +49,7 @@ ConstCpPoly& ConstCpPoly::operator=(const ConstCpPoly& b)
m_h0_R = b.m_h0_R;
m_s0_R = b.m_s0_R;
m_logt0 = b.m_logt0;
m_lowT = b.m_lowT;
m_highT = b.m_highT;
m_Pref = b.m_Pref;
m_index = b.m_index;
SpeciesThermoInterpType::operator=(b);
}
return *this;
}
@ -73,19 +60,6 @@ ConstCpPoly::duplMyselfAsSpeciesThermoInterpType() const
return new ConstCpPoly(*this);
}
doublereal ConstCpPoly::minTemp() const
{
return m_lowT;
}
doublereal ConstCpPoly::maxTemp() const
{
return m_highT;
}
doublereal ConstCpPoly::refPressure() const
{
return m_Pref;
}
void ConstCpPoly::updateProperties(const doublereal* tt,
doublereal* cp_R,
doublereal* h_RT,

16
src/thermo/ConstCpPoly.h
View file

@ -77,18 +77,10 @@ public:
virtual SpeciesThermoInterpType*
duplMyselfAsSpeciesThermoInterpType() const;
doublereal minTemp() const;
doublereal maxTemp() const;
doublereal refPressure() const;
virtual int reportType() const {
return CONSTANT_CP;
}
virtual size_t speciesIndex() const {
return m_index;
}
//! Update the properties for this species, given a temperature polynomial
/*!
* This method is called with a pointer to an array containing the functions of
@ -138,14 +130,6 @@ protected:
doublereal m_s0_R;
//! log of the t0 value
doublereal m_logt0;
//! Minimum temperature for which the parameterization is valid (Kelvin)
doublereal m_lowT;
//! Maximum temperature for which the parameterization is valid (Kelvin)
doublereal m_highT;
//! Reference pressure (Pa)
doublereal m_Pref;
//! Species Index
size_t m_index;
};
}

40
src/thermo/Mu0Poly.cpp
View file

@ -19,45 +19,36 @@ using namespace ctml;
namespace Cantera
{
Mu0Poly::Mu0Poly() : m_numIntervals(0),
m_H298(0.0),
m_lowT(0.0),
m_highT(0.0),
m_Pref(0.0),
m_index(0)
m_H298(0.0)
{
}
Mu0Poly::Mu0Poly(size_t n, doublereal tlow, doublereal thigh,
doublereal pref,
const doublereal* coeffs) :
SpeciesThermoInterpType(n, tlow, thigh, pref),
m_numIntervals(0),
m_H298(0.0),
m_lowT(tlow),
m_highT(thigh),
m_Pref(pref),
m_index(n)
m_H298(0.0)
{
processCoeffs(coeffs);
}
Mu0Poly::Mu0Poly(const Mu0Poly& b)
: m_numIntervals(b.m_numIntervals),
: SpeciesThermoInterpType(b),
m_numIntervals(b.m_numIntervals),
m_H298(b.m_H298),
m_t0_int(b.m_t0_int),
m_mu0_R_int(b.m_mu0_R_int),
m_h0_R_int(b.m_h0_R_int),
m_s0_R_int(b.m_s0_R_int),
m_cp0_R_int(b.m_cp0_R_int),
m_lowT(b.m_lowT),
m_highT(b.m_highT),
m_Pref(b.m_Pref),
m_index(b.m_index)
m_cp0_R_int(b.m_cp0_R_int)
{
}
Mu0Poly& Mu0Poly::operator=(const Mu0Poly& b)
{
if (&b != this) {
SpeciesThermoInterpType::operator=(b);
m_numIntervals = b.m_numIntervals;
m_H298 = b.m_H298;
m_t0_int = b.m_t0_int;
@ -65,10 +56,6 @@ Mu0Poly& Mu0Poly::operator=(const Mu0Poly& b)
m_h0_R_int = b.m_h0_R_int;
m_s0_R_int = b.m_s0_R_int;
m_cp0_R_int = b.m_cp0_R_int;
m_lowT = b.m_lowT;
m_highT = b.m_highT;
m_Pref = b.m_Pref;
m_index = b.m_index;
}
return *this;
}
@ -79,19 +66,6 @@ Mu0Poly::duplMyselfAsSpeciesThermoInterpType() const
return new Mu0Poly(*this);
}
doublereal Mu0Poly::minTemp() const
{
return m_lowT;
}
doublereal Mu0Poly::maxTemp() const
{
return m_highT;
}
doublereal Mu0Poly::refPressure() const
{
return m_Pref;
}
void Mu0Poly::
updateProperties(const doublereal* tt, doublereal* cp_R,
doublereal* h_RT, doublereal* s_R) const

41
src/thermo/Nasa9Poly1.cpp
View file

@ -16,26 +16,22 @@
namespace Cantera
{
Nasa9Poly1::Nasa9Poly1()
: m_lowT(0.0), m_highT(0.0),
m_Pref(1.0E5), m_index(0), m_coeff(vector_fp(9)) {}
: m_coeff(vector_fp(9))
{
m_Pref = 1.0e5;
}
Nasa9Poly1::Nasa9Poly1(size_t n, doublereal tlow, doublereal thigh,
doublereal pref,
const doublereal* coeffs) :
m_lowT(tlow),
m_highT(thigh),
m_Pref(pref),
m_index(n),
SpeciesThermoInterpType(n, tlow, thigh, pref),
m_coeff(vector_fp(9))
{
std::copy(coeffs, coeffs + 9, m_coeff.begin());
}
Nasa9Poly1::Nasa9Poly1(const Nasa9Poly1& b) :
m_lowT(b.m_lowT),
m_highT(b.m_highT),
m_Pref(b.m_Pref),
m_index(b.m_index),
SpeciesThermoInterpType(b),
m_coeff(vector_fp(9))
{
std::copy(b.m_coeff.begin(),
@ -46,10 +42,7 @@ Nasa9Poly1::Nasa9Poly1(const Nasa9Poly1& b) :
Nasa9Poly1& Nasa9Poly1::operator=(const Nasa9Poly1& b)
{
if (&b != this) {
m_lowT = b.m_lowT;
m_highT = b.m_highT;
m_Pref = b.m_Pref;
m_index = b.m_index;
SpeciesThermoInterpType::operator=(b);
std::copy(b.m_coeff.begin(),
b.m_coeff.begin() + 9,
m_coeff.begin());
@ -63,31 +56,11 @@ Nasa9Poly1::duplMyselfAsSpeciesThermoInterpType() const
return new Nasa9Poly1(*this);
}
doublereal Nasa9Poly1::minTemp() const
{
return m_lowT;
}
doublereal Nasa9Poly1::maxTemp() const
{
return m_highT;
}
doublereal Nasa9Poly1::refPressure() const
{
return m_Pref;
}
int Nasa9Poly1::reportType() const
{
return NASA9;
}
size_t Nasa9Poly1::speciesIndex() const
{
return m_index;
}
void Nasa9Poly1::updateProperties(const doublereal* tt,
doublereal* cp_R, doublereal* h_RT,
doublereal* s_R) const

38
src/thermo/Nasa9PolyMultiTempRegion.cpp
View file

@ -21,10 +21,6 @@ using namespace std;
namespace Cantera
{
Nasa9PolyMultiTempRegion::Nasa9PolyMultiTempRegion() :
m_lowT(0.0),
m_highT(0.0),
m_Pref(0.0),
m_index(0),
m_numTempRegions(0),
m_currRegion(0)
{
@ -32,10 +28,6 @@ Nasa9PolyMultiTempRegion::Nasa9PolyMultiTempRegion() :
Nasa9PolyMultiTempRegion::
Nasa9PolyMultiTempRegion(std::vector<Cantera::Nasa9Poly1*> &regionPts) :
m_lowT(0.0),
m_highT(0.0),
m_Pref(0.0),
m_index(0),
m_numTempRegions(0),
m_currRegion(0)
{
@ -73,10 +65,7 @@ Nasa9PolyMultiTempRegion(std::vector<Cantera::Nasa9Poly1*> &regionPts) :
Nasa9PolyMultiTempRegion::
Nasa9PolyMultiTempRegion(const Nasa9PolyMultiTempRegion& b) :
m_lowT(b.m_lowT),
m_highT(b.m_highT),
m_Pref(b.m_Pref),
m_index(b.m_index),
SpeciesThermoInterpType(b),
m_numTempRegions(b.m_numTempRegions),
m_lowerTempBounds(b.m_lowerTempBounds),
m_currRegion(b.m_currRegion)
@ -92,14 +81,11 @@ Nasa9PolyMultiTempRegion&
Nasa9PolyMultiTempRegion::operator=(const Nasa9PolyMultiTempRegion& b)
{
if (&b != this) {
SpeciesThermoInterpType::operator=(b);
for (size_t i = 0; i < m_numTempRegions; i++) {
delete m_regionPts[i];
m_regionPts[i] = 0;
}
m_lowT = b.m_lowT;
m_highT = b.m_highT;
m_Pref = b.m_Pref;
m_index = b.m_index;
m_numTempRegions = b.m_numTempRegions;
m_lowerTempBounds = b.m_lowerTempBounds;
m_currRegion = b.m_currRegion;
@ -125,31 +111,11 @@ Nasa9PolyMultiTempRegion::duplMyselfAsSpeciesThermoInterpType() const
return new Nasa9PolyMultiTempRegion(*this);
}
doublereal Nasa9PolyMultiTempRegion::minTemp() const
{
return m_lowT;
}
doublereal Nasa9PolyMultiTempRegion::maxTemp() const
{
return m_highT;
}
doublereal Nasa9PolyMultiTempRegion::refPressure() const
{
return m_Pref;
}
int Nasa9PolyMultiTempRegion::reportType() const
{
return NASA9MULTITEMP;
}
size_t Nasa9PolyMultiTempRegion::speciesIndex() const
{
return m_index;
}
void Nasa9PolyMultiTempRegion::updateProperties(const doublereal* tt,
doublereal* cp_R,
doublereal* h_RT,

12
src/thermo/Nasa9PolyMultiTempRegion.h
View file

@ -102,11 +102,7 @@ public:
virtual SpeciesThermoInterpType*
duplMyselfAsSpeciesThermoInterpType() const;
virtual doublereal minTemp() const;
virtual doublereal maxTemp() const;
virtual doublereal refPressure() const;
virtual int reportType() const;
virtual size_t speciesIndex() const;
//! Update the properties for this species, given a temperature polynomial
/*!
@ -195,14 +191,6 @@ public:
virtual void modifyParameters(doublereal* coeffs);
protected:
//! lowest valid temperature
doublereal m_lowT;
//! highest valid temperature
doublereal m_highT;
//! standard-state pressure
doublereal m_Pref;
//! species index
size_t m_index;
//! Number of temperature regions
size_t m_numTempRegions;

47
src/thermo/NasaPoly2.h
View file

@ -13,6 +13,7 @@
#define CT_NASAPOLY2_H
#include "cantera/thermo/SpeciesThermoInterpType.h"
#include "cantera/thermo/NasaPoly1.h"
namespace Cantera
{
@ -49,11 +50,7 @@ class NasaPoly2 : public SpeciesThermoInterpType
public:
//! Empty constructor
NasaPoly2()
: m_lowT(0.0),
m_midT(0.0),
m_highT(0.0),
m_Pref(0.0),
m_index(0),
: m_midT(0.0),
m_coeff(15, 0.0) {
}
@ -68,14 +65,10 @@ public:
*/
NasaPoly2(size_t n, doublereal tlow, doublereal thigh, doublereal pref,
const doublereal* coeffs) :
m_lowT(tlow),
m_highT(thigh),
m_Pref(pref),
SpeciesThermoInterpType(n, tlow, thigh, pref),
mnp_low(n, tlow, coeffs[0], pref, coeffs +1),
mnp_high(n, tlow, thigh, pref, coeffs + 8),
m_index(n),
m_coeff(15, 0.0) {
std::copy(coeffs, coeffs + 15, m_coeff.begin());
m_midT = coeffs[0];
}
@ -85,13 +78,10 @@ public:
* @param b object to be copied.
*/
NasaPoly2(const NasaPoly2& b) :
m_lowT(b.m_lowT),
SpeciesThermoInterpType(b),
m_midT(b.m_midT),
m_highT(b.m_highT),
m_Pref(b.m_Pref),
mnp_low(b.mnp_low),
mnp_high(b.mnp_high),
m_index(b.m_index),
m_coeff(b.m_coeff) {
}
@ -101,11 +91,8 @@ public:
*/
NasaPoly2& operator=(const NasaPoly2& b) {
if (&b != this) {
m_lowT = b.m_lowT;
SpeciesThermoInterpType::operator=(b);
m_midT = b.m_midT;
m_highT = b.m_highT;
m_Pref = b.m_Pref;
m_index = b.m_index;
m_coeff = b.m_coeff;
mnp_low = b.mnp_low;
mnp_high = b.mnp_high;
@ -119,26 +106,10 @@ public:
return (SpeciesThermoInterpType*) np;
}
doublereal minTemp() const {
return m_lowT;
}
doublereal maxTemp() const {
return m_highT;
}
doublereal refPressure() const {
return m_Pref;
}
virtual int reportType() const {
return NASA2;
}
virtual size_t speciesIndex() const {
return m_index;
}
//! Update the properties for this species, given a temperature polynomial
/*!
* This method is called with a pointer to an array containing the
@ -229,20 +200,12 @@ public:
#endif
protected:
//! lowest valid temperature
doublereal m_lowT;
//! Midrange temperature
doublereal m_midT;
//! Highest valid temperature
doublereal m_highT;
//! Reference state pressure
doublereal m_Pref;
//! NasaPoly1 object for the low temperature region.
NasaPoly1 mnp_low;
//! NasaPoly1 object for the high temperature region.
NasaPoly1 mnp_high;
//! species index
size_t m_index;
//! array of polynomial coefficients
vector_fp m_coeff;
};

101
src/thermo/ShomatePoly.h
View file

@ -57,9 +57,7 @@ class ShomatePoly : public SpeciesThermoInterpType
{
public:
//! Empty constructor
ShomatePoly()
: m_lowT(0.0), m_highT(0.0),
m_Pref(0.0), m_index(0) {}
ShomatePoly() {}
//! Constructor used in templated instantiations
/*!
@ -83,10 +81,8 @@ public:
*/
ShomatePoly(size_t n, doublereal tlow, doublereal thigh, doublereal pref,
const doublereal* coeffs) :
m_lowT(tlow),
m_highT(thigh),
m_Pref(pref),
m_index(n) {
SpeciesThermoInterpType(n, tlow, thigh, pref)
{
m_coeff.resize(7);
std::copy(coeffs, coeffs + 7, m_coeff.begin());
}
@ -96,11 +92,9 @@ public:
* @param b object to be copied
*/
ShomatePoly(const ShomatePoly& b) :
m_lowT(b.m_lowT),
m_highT(b.m_highT),
m_Pref(b.m_Pref),
m_coeff(vector_fp(7)),
m_index(b.m_index) {
SpeciesThermoInterpType(b),
m_coeff(vector_fp(7))
{
std::copy(b.m_coeff.begin(),
b.m_coeff.begin() + 7,
m_coeff.begin());
@ -112,10 +106,7 @@ public:
*/
ShomatePoly& operator=(const ShomatePoly& b) {
if (&b != this) {
m_lowT = b.m_lowT;
m_highT = b.m_highT;
m_Pref = b.m_Pref;
m_index = b.m_index;
SpeciesThermoInterpType::operator=(b);
m_coeff.resize(7);
std::copy(b.m_coeff.begin(),
b.m_coeff.begin() + 7,
@ -130,26 +121,10 @@ public:
return (SpeciesThermoInterpType*) sp;
}
virtual doublereal minTemp() const {
return m_lowT;
}
virtual doublereal maxTemp() const {
return m_highT;
}
virtual doublereal refPressure() const {
return m_Pref;
}
virtual int reportType() const {
return SHOMATE;
}
virtual size_t speciesIndex() const {
return m_index;
}
//! Update the properties for this species, given a temperature polynomial
/*!
* This method is called with a pointer to an array containing the
@ -282,16 +257,8 @@ public:
#endif
protected:
//! Minimum temperature for which the parameterization is valid (Kelvin)
doublereal m_lowT;
//! Maximum temperature for which the parameterization is valid (Kelvin)
doublereal m_highT;
//! Reference pressure (Pa)
doublereal m_Pref;
//! Array of coeffcients
vector_fp m_coeff;
//! Species Index
size_t m_index;
};
//! The Shomate polynomial parameterization for two temperature ranges
@ -340,13 +307,10 @@ class ShomatePoly2 : public SpeciesThermoInterpType
public:
//! Empty constructor
ShomatePoly2()
: m_lowT(0.0),
m_midT(0.0),
m_highT(0.0),
m_Pref(0.0),
: m_midT(0.0),
msp_low(0),
msp_high(0),
m_index(0) {
msp_high(0)
{
m_coeff.resize(15);
}
@ -365,13 +329,11 @@ public:
*/
ShomatePoly2(size_t n, doublereal tlow, doublereal thigh, doublereal pref,
const doublereal* coeffs) :
m_lowT(tlow),
SpeciesThermoInterpType(n, tlow, thigh, pref),
m_midT(0.0),
m_highT(thigh),
m_Pref(pref),
msp_low(0),
msp_high(0),
m_index(n) {
msp_high(0)
{
m_coeff.resize(15);
std::copy(coeffs, coeffs + 15, m_coeff.begin());
m_midT = coeffs[0];
@ -384,14 +346,12 @@ public:
* @param b object to be copied.
*/
ShomatePoly2(const ShomatePoly2& b) :
m_lowT(b.m_lowT),
SpeciesThermoInterpType(b),
m_midT(b.m_midT),
m_highT(b.m_highT),
m_Pref(b.m_Pref),
msp_low(0),
msp_high(0),
m_coeff(vector_fp(15)),
m_index(b.m_index) {
m_coeff(vector_fp(15))
{
std::copy(b.m_coeff.begin(),
b.m_coeff.begin() + 15,
m_coeff.begin());
@ -407,11 +367,8 @@ public:
*/
ShomatePoly2& operator=(const ShomatePoly2& b) {
if (&b != this) {
m_lowT = b.m_lowT;
SpeciesThermoInterpType::operator=(b);
m_midT = b.m_midT;
m_highT = b.m_highT;
m_Pref = b.m_Pref;
m_index = b.m_index;
std::copy(b.m_coeff.begin(),
b.m_coeff.begin() + 15,
m_coeff.begin());
@ -437,26 +394,10 @@ public:
return (SpeciesThermoInterpType*) sp;
}
virtual doublereal minTemp() const {
return m_lowT;
}
virtual doublereal maxTemp() const {
return m_highT;
}
virtual doublereal refPressure() const {
return m_Pref;
}
virtual int reportType() const {
return SHOMATE2;
}
virtual size_t speciesIndex() const {
return m_index;
}
//! Update the properties for this species, given a temperature polynomial
/*!
* This method is called with a pointer to an array containing the
@ -565,22 +506,14 @@ public:
#endif
protected:
//! Minimum temperature the representation is valid(kelvin)
doublereal m_lowT;
//! Midrange temperature (kelvin)
doublereal m_midT;
//! Maximum temperature the representation is valid (kelvin)
doublereal m_highT;
//! Reference pressure (Pascal)
doublereal m_Pref;
//! Pointer to the Shomate polynomial for the low temperature region.
ShomatePoly* msp_low;
//! Pointer to the Shomate polynomial for the high temperature region.
ShomatePoly* msp_high;
//! Array of the original coefficients.
vector_fp m_coeff;
//! Species index
size_t m_index;
};
}

38
src/thermo/SpeciesThermoInterpType.cpp
View file

@ -13,7 +13,11 @@
namespace Cantera
{
SpeciesThermoInterpType::SpeciesThermoInterpType()
SpeciesThermoInterpType::SpeciesThermoInterpType() :
m_lowT(0.0),
m_highT(0.0),
m_Pref(0.0),
m_index(0)
{
}
@ -45,22 +49,21 @@ void SpeciesThermoInterpType::modifyOneHf298(const int k, const doublereal Hf298
#endif
STITbyPDSS::STITbyPDSS() :
m_speciesIndex(npos)
STITbyPDSS::STITbyPDSS()
{
m_index = npos;
}
STITbyPDSS::STITbyPDSS(size_t k, VPSSMgr* vpssmgr_ptr, PDSS* PDSS_ptr) :
m_vpssmgr_ptr(vpssmgr_ptr),
m_PDSS_ptr(PDSS_ptr),
m_speciesIndex(k)
m_PDSS_ptr(PDSS_ptr)
{
m_index = k;
}
STITbyPDSS::STITbyPDSS(const STITbyPDSS& b) :
m_vpssmgr_ptr(b.m_vpssmgr_ptr),
m_PDSS_ptr(b.m_PDSS_ptr),
m_speciesIndex(b.m_speciesIndex)
m_PDSS_ptr(b.m_PDSS_ptr)
{
}
@ -72,7 +75,7 @@ STITbyPDSS::duplMyselfAsSpeciesThermoInterpType() const
void STITbyPDSS::initAllPtrs(size_t speciesIndex, VPSSMgr* vpssmgr_ptr, PDSS* PDSS_ptr)
{
AssertThrow(speciesIndex == m_speciesIndex, "STITbyPDSS::initAllPtrs internal confusion");
AssertThrow(speciesIndex == m_index, "STITbyPDSS::initAllPtrs internal confusion");
m_vpssmgr_ptr = vpssmgr_ptr;
m_PDSS_ptr = PDSS_ptr;
}
@ -97,11 +100,6 @@ int STITbyPDSS::reportType() const
return PDSS_TYPE;
}
size_t STITbyPDSS::speciesIndex() const
{
return m_speciesIndex;
}
void STITbyPDSS::updateProperties(const doublereal* tempPoly,
doublereal* cp_R, doublereal* h_RT,
doublereal* s_R) const
@ -117,11 +115,11 @@ void STITbyPDSS::updatePropertiesTemp(const doublereal temp,
{
//m_vpssmgr_ptr->setState_T(temp);
m_PDSS_ptr->setTemperature(temp);
AssertThrowMsg(m_speciesIndex != npos, "STITbyPDSS::updatePropertiesTemp",
AssertThrowMsg(m_index != npos, "STITbyPDSS::updatePropertiesTemp",
"object was probably not installed correctly");
h_RT[m_speciesIndex] = m_PDSS_ptr->enthalpy_RT_ref();
cp_R[m_speciesIndex] = m_PDSS_ptr->cp_R_ref();
s_R[m_speciesIndex] = m_PDSS_ptr->entropy_R_ref();
h_RT[m_index] = m_PDSS_ptr->enthalpy_RT_ref();
cp_R[m_index] = m_PDSS_ptr->cp_R_ref();
s_R[m_index] = m_PDSS_ptr->entropy_R_ref();
}
void STITbyPDSS::reportParameters(size_t& index, int& type,
@ -130,10 +128,10 @@ void STITbyPDSS::reportParameters(size_t& index, int& type,
doublereal* const coeffs) const
{
warn_deprecated("STITbyPDSS::reportParameters");
index = m_speciesIndex;
index = m_index;
type = PDSS_TYPE;
minTemp = m_vpssmgr_ptr->minTemp(m_speciesIndex);
maxTemp = m_vpssmgr_ptr->maxTemp(m_speciesIndex);
minTemp = m_vpssmgr_ptr->minTemp(m_index);
maxTemp = m_vpssmgr_ptr->maxTemp(m_index);
refPressure = m_PDSS_ptr->refPressure();
}

40
src/thermo/StatMech.cpp
View file

@ -10,18 +10,13 @@
namespace Cantera
{
StatMech::StatMech()
: m_lowT(0.1), m_highT(1.0),
m_Pref(1.0E5), m_index(0) {}
StatMech::StatMech() {}
StatMech::StatMech(int n, doublereal tlow, doublereal thigh,
doublereal pref,
const doublereal* coeffs,
const std::string& my_name) :
m_lowT(tlow),
m_highT(thigh),
m_Pref(pref),
m_index(n),
SpeciesThermoInterpType(n, tlow, thigh, pref),
sp_name(my_name)
{
// should error on zero -- cannot take ln(0)
@ -33,21 +28,14 @@ StatMech::StatMech(int n, doublereal tlow, doublereal thigh,
}
StatMech::StatMech(const StatMech& b) :
m_lowT(b.m_lowT),
m_highT(b.m_highT),
m_Pref(b.m_Pref),
m_index(b.m_index)
SpeciesThermoInterpType(b)
{
}
StatMech& StatMech::operator=(const StatMech& b)
{
if (&b != this) {
m_lowT = b.m_lowT;
m_highT = b.m_highT;
m_Pref = b.m_Pref;
m_index = b.m_index;
SpeciesThermoInterpType::operator=(b);
}
return *this;
}
@ -58,31 +46,11 @@ StatMech::duplMyselfAsSpeciesThermoInterpType() const
return new StatMech(*this);
}
doublereal StatMech::minTemp() const
{
return m_lowT;
}
doublereal StatMech::maxTemp() const
{
return m_highT;
}
doublereal StatMech::refPressure() const
{
return m_Pref;
}
int StatMech::reportType() const
{
return STAT;
}
size_t StatMech::speciesIndex() const
{
return m_index;
}
int StatMech::buildmap()
{