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Removed some deprecated code

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This commit is contained in:
Ray Speth 2012-07-16 22:18:35 +00:00
parent 8b6c9a0bf7
commit cfe5824a7d
31 changed files with 20 additions and 519 deletions
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10
include/cantera/equil/vcs_VolPhase.h
View file

@ -654,16 +654,6 @@ public:
*/
size_t VP_ID_;
//! ID of the surface or volume domain in which the
//! this phase exists
/*!
* This ventures into the idea of installing a physical location
* into a thermodynamics program. This unknown is currently not
* being used.
* @deprecated
*/
int Domain_ID;
//! If true, this phase consists of a single species
bool m_singleSpecies;

5
include/cantera/kinetics/Kinetics.h
View file

@ -1043,9 +1043,8 @@ protected:
//! Phase Index where reactions are assumed to be taking place
/*!
* We calculate this by assuming that the phase with the lowest dimensionality is the phase where reactions
* are taking place
* @deprecated
* We calculate this by assuming that the phase with the lowest
* dimensionality is the phase where reactions are taking place.
*/
size_t m_rxnphase;

1
include/cantera/kinetics/RateCoeffMgr.h
View file

@ -109,7 +109,6 @@ public:
protected:
std::vector<R> m_rates;
std::vector<size_t> m_rxn;
vector_fp m_const; //!< @deprecated not used
};

17
include/cantera/thermo/ConstDensityThermo.h
View file

@ -282,17 +282,6 @@ public:
return m_g0_RT;
}
//! Returns a reference to the vector of exponentials of the nondimensional
//! Gibbs Free Energies of the reference state at the current temperature
//! of the solution and the reference pressure for the species.
const vector_fp& expGibbs_RT() const {
_updateThermo();
for (size_t k = 0; k != m_kk; k++) {
m_expg0_RT[k] = std::exp(m_g0_RT[k]);
}
return m_expg0_RT;
}
//! Returns a reference to the vector of nondimensional
//! entropies of the reference state at the current temperature
//! of the solution and the reference pressure for each species.
@ -444,12 +433,6 @@ protected:
//! Temporary storage for dimensionless reference state entropies
mutable vector_fp m_s0_R;
//! currently unsed
/*!
* @deprecated
*/
mutable vector_fp m_expg0_RT;
//! Currently unused
/*
* @deprecated

9
include/cantera/thermo/GeneralSpeciesThermo.h
View file

@ -205,15 +205,6 @@ public:
doublereal& maxTemp,
doublereal& refPressure) const;
//! Modify parameters for the standard state
/*!
* @param index Species index
* @param c Vector of coefficients used to set the
* parameters for the standard state.
* @deprecated
*/
DEPRECATED(virtual void modifyParams(size_t index, doublereal* c));
#ifdef H298MODIFY_CAPABILITY
virtual doublereal reportOneHf298(int k) const;

13
include/cantera/thermo/HMWSoln.h
View file

@ -2128,19 +2128,6 @@ public:
*/
virtual void initThermoXML(XML_Node& phaseNode, std::string id);
//! Report the molar volume of species k
/*!
*
* units - \f$ m^3 kmol^-1 \f$
*
* @param k species index
*
* @deprecated
* The getPartialMolarVolumes() expression is more precise.
*/
DEPRECATED(double speciesMolarVolume(int k) const);
//! Value of the Debye Huckel constant as a function of temperature
//! and pressure.
/*!

27
include/cantera/thermo/Phase.h
View file

@ -380,25 +380,10 @@ public:
//! @return Returns the molecular weight of species \c k.
doublereal molecularWeight(size_t k) const;
//! Return the Molar mass of species \c k
//! Alternate name for molecular weight.
//! @param k index for species
//! @return Return the molar mass of species k kg/kmol.
//! @deprecated use molecularWeight instead
doublereal molarMass(size_t k) const {
return molecularWeight(k);
}
//! Copy the vector of molecular weights into vector weights.
//! @param weights Output vector of molecular weights (kg/kmol)
void getMolecularWeights(vector_fp& weights) const;
//! Copy the vector of molecular weights into array weights.
//! @param iwt Unused.
//! @param weights Output array of molecular weights (kg/kmol)
//! @deprecated
DEPRECATED(void getMolecularWeights(int iwt, doublereal* weights) const);
//! Copy the vector of molecular weights into array weights.
//! @param weights Output array of molecular weights (kg/kmol)
void getMolecularWeights(doublereal* weights) const;
@ -698,17 +683,10 @@ public:
virtual bool ready() const;
//! Return the State Mole Fraction Number
DEPRECATED(int stateMFNumber() const) {
int stateMFNumber() const {
return m_stateNum;
}
//! Every time the mole fractions have changed, this routine will increment
//! the stateMFNumber
//! @param forceChange If this is true then the stateMFNumber always
//! changes. This defaults to false.
//! @deprecated
DEPRECATED(void stateMFChangeCalc(bool forceChange = false));
protected:
//! @internal Initialize.
//! Make a local copy of the vector of molecular weights, and resize the
@ -740,8 +718,8 @@ protected:
vector_fp m_speciesSize;
vector_fp m_speciesCharge; //!< Vector of species charges. length m_kk.
private:
private:
XML_Node* m_xml; //!< XML node containing the XML info for this phase
//! ID of the phase. This is the value of the ID attribute of the XML
@ -774,7 +752,6 @@ private:
//! State Change variable. Whenever the mole fraction vector changes,
//! this int is incremented.
//! @deprecated
int m_stateNum;
//! Boolean indicating whether the number of species has been frozen.

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

@ -348,31 +348,6 @@ public:
}
}
//! Modify parameters for the standard state
/*!
* The thermo parameterization for a single species is overwritten.
*
* @param index Species index
* @param c Vector of coefficients used to set the
* parameters for the standard state.
* Must be length >= 4.
* @deprecated
*/
DEPRECATED(virtual void modifyParams(size_t index, doublereal* c)) {
size_t loc = m_loc[index];
if (loc == npos) {
throw CanteraError("SimpleThermo::modifyParams",
"modifying parameters for species which hasn't been set yet");
}
/*
* Change the data
*/
m_t0[loc] = c[0];
m_h0_R[loc] = c[1] / GasConstant;
m_s0_R[loc] = c[2] / GasConstant;
m_cp0_R[loc] = c[3] / GasConstant;
}
#ifdef H298MODIFY_CAPABILITY
virtual doublereal reportOneHf298(int k) const {

9
include/cantera/thermo/SpeciesThermo.h
View file

@ -354,15 +354,6 @@ public:
doublereal& maxTemp,
doublereal& refPressure) const =0;
//! Modify parameters for the standard state
/*!
* @param index Species index
* @param c Vector of coefficients used to set the
* parameters for the standard state.
* @deprecated
*/
DEPRECATED(virtual void modifyParams(size_t index, doublereal* c)) = 0;
#ifdef H298MODIFY_CAPABILITY
//! Report the 298 K Heat of Formation of the standard state of one species (J kmol-1)
/*!

19
include/cantera/thermo/SpeciesThermoFactory.h
View file

@ -147,22 +147,6 @@ public:
*/
SpeciesThermo* newSpeciesThermo(std::vector<XML_Node*> & spDataNodeList) const;
//! Create a new species property manager for the reference state
/*!
* This routine will look through species nodes. It will discover what
* each species needs for its species property managers. Then,
* it will malloc and return the proper species property manager to use.
*
*
* @param spDataNodeList This vector contains a list
* of species XML nodes that will be in the phase
*
* @return Returns the pointer to the newly malloced
* species property manager for the reference state
* @deprecated Essentially never used
*/
DEPRECATED(SpeciesThermo* newSpeciesThermoOpt(std::vector<XML_Node*> & spDataNodeList) const);
//! Install a species thermodynamic property parameterization
//! for the reference state for one species into a species thermo manager.
/*!
@ -274,10 +258,9 @@ SpeciesThermo* newSpeciesThermoMgr(std::string& stype,
*
* @param f Pointer to a SpeciesThermoFactory. optional parameter.
* Defaults to NULL.
* @param opt Boolean defaults to false.
*/
SpeciesThermo* newSpeciesThermoMgr(std::vector<XML_Node*> spDataNodeList,
SpeciesThermoFactory* f=0, bool opt=false);
SpeciesThermoFactory* f=0);
}

1
include/cantera/thermo/SpeciesThermoInterpType.h
View file

@ -7,6 +7,7 @@
// Copyright 2001 California Institute of Technology
#include "cantera/base/ct_defs.h"
#include "speciesThermoTypes.h"
#ifndef CT_SPECIESTHERMOINTERPTYPE_H

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

@ -21,29 +21,6 @@ namespace Cantera
{
/////////////////////// Exceptions //////////////////////////////
//! Exception thrown if species reference pressures don't match.
/*!
* @ingroup mgrsrefcalc
* @deprecated unused
*/
class RefPressureMismatch : public CanteraError
{
public:
//! constructor
/*!
* @param proc name of the procecdure
* @param prnew reference pressure
* @param prold old reference pressure
*/
RefPressureMismatch(std::string proc, doublereal prnew,
doublereal prold) : CanteraError(proc,
"Species reference pressure ("
+ fp2str(prnew) + ") does not match previously-defined "
+ "reference pressure (" + fp2str(prold) + ")") {}
//! destructor
virtual ~RefPressureMismatch() throw() {}
};
//! Unknown species thermo manager string error
/*!
* @ingroup mgrsrefcalc
@ -250,15 +227,6 @@ public:
doublereal& maxTemp,
doublereal& refPressure) const;
//! Modify parameters for the standard state
/*!
* @param index Species index
* @param c Vector of coefficients used to set the
* parameters for the standard state.
* @deprecated
*/
DEPRECATED(virtual void modifyParams(size_t index, doublereal* c));
#ifdef H298MODIFY_CAPABILITY
virtual doublereal reportOneHf298(int k) const {
@ -374,19 +342,5 @@ SpeciesThermoDuo<T1, T2>::reportParams(size_t index, int& type,
}
}
template<class T1, class T2>
void
SpeciesThermoDuo<T1, T2>::modifyParams(size_t index, doublereal* c)
{
int ctype = reportType(index);
if (ctype == m_thermo1.ID) {
m_thermo1.modifyParams(index, c);
} else if (ctype == m_thermo2.ID) {
m_thermo2.modifyParams(index, c);
} else {
throw CanteraError("modifyParams", "confused");
}
}
}
#endif

16
include/cantera/thermo/ThermoPhase.h
View file

@ -362,11 +362,6 @@ public:
return -1.0;
}
/// @deprecated
virtual void updateDensity() {
deprecatedMethod("ThermoPhase","updateDensity","");
}
/**
* @}
* @name Electric Potential
@ -1669,17 +1664,6 @@ private:
//! typedef for the ThermoPhase class
typedef ThermoPhase thermo_t;
//! Format a summary of the mixture state for output.
/*!
* @param th ThermoPhase object to create a report about
* @param show_thermo Boolean indicating whether the thermo functions
* of the phase should be written out
*
* @return Returns a string containing the report
* @deprecated use "th.report(show_thermo)" instead
*/
DEPRECATED(std::string report(const ThermoPhase& th, const bool show_thermo = true));
}
#endif

24
include/cantera/thermo/speciesThermoTypes.h
View file

@ -9,10 +9,6 @@
#ifndef SPECIES_THERMO_TYPES_H
#define SPECIES_THERMO_TYPES_H
#include "cantera/base/ct_defs.h"
#include "cantera/base/global.h"
#include "cantera/base/stringUtils.h"
//! Constant Cp
#define CONSTANT_CP 1
@ -72,26 +68,6 @@
//! A general object is called with the pressure set at the reference state.
#define PDSS_TYPE 37
namespace Cantera
{
//! Error for unknown thermo parameterization
struct UnknownThermoParam {
//! Constructor
/*!
* @param thermotype Integer specifying the thermo parameterization
*
* @deprecated This class is unused?
*/
DEPRECATED(UnknownThermoParam(int thermotype)) {
writelog(std::string("\n ### ERROR ### \n") +
"Unknown species thermo parameterization ("
+ int2str(thermotype) + ")\n\n");
}
};
}
#endif

66
include/cantera/transport/MultiTransport.h
View file

@ -19,52 +19,7 @@
namespace Cantera
{
//====================================================================================================================
//! Transport solve options
//! @deprecated GMRES option is unimplemented.
enum TRANSOLVE_TYPE {
//! Solve the dense matrix via a gmres iteration
TRANSOLVE_GMRES = 1,
//! Solve the dense matrix via an LU gauss elimination
TRANSOLVE_LU
};
//====================================================================================================================
class GasTransportParams;
//====================================================================================================================
//! Class L_Matrix is used to represent the "L" matrix.
/*!
* This class is used instead of DenseMatrix so that a version of mult can be
* used that knows about the structure of the L matrix,
* specifically that the upper-right and lower-left blocks are
* zero.
* @ingroup transportProps
*/
class L_Matrix : public DenseMatrix
{
public:
//! default constructor
L_Matrix() {}
//! destructor
virtual ~L_Matrix() {}
//! Conduct a multiply with the Dense matrix
/*!
* This method is used by GMRES to multiply the L matrix by a
* vector b. The L matrix has a 3x3 block structure, where each
* block is a K x K matrix. The elements of the upper-right and
* lower-left blocks are all zero. This method is defined so
* that the multiplication only involves the seven non-zero
* blocks.
*
* @param b
* @param prod
* @deprecated GMRES method is not implemented
*/
DEPRECATED(virtual void mult(const doublereal* b, doublereal* prod) const);
};
//====================================================================================================================
//! Class MultiTransport implements multicomponent transport
@ -178,21 +133,6 @@ public:
const doublereal* state2, doublereal delta,
doublereal* fluxes);
//! Set the solution method for inverting the L matrix
/*!
* @param method enum TRANSOLVE_TYPE Either use direct or TRANSOLVE_GMRES
* @deprecated GMRES option is unimplemented.
*/
DEPRECATED(virtual void setSolutionMethod(TRANSOLVE_TYPE method));
//! Set the options for the GMRES solution
/*!
* @param m set the mgmres param
* @param eps Set the eps parameter
* @deprecated GMRES option is unimplemented.
*/
DEPRECATED(virtual void setOptions_GMRES(int m, doublereal eps));
//! Initialize the transport operator with parameters from GasTransportParams object
/*!
* @param tr input GasTransportParams object
@ -262,16 +202,12 @@ private:
doublereal m_lambda;
// L matrix quantities
L_Matrix m_Lmatrix;
DenseMatrix m_Lmatrix;
DenseMatrix m_aa;
//DenseMatrix m_Lmatrix;
vector_fp m_a;
vector_fp m_b;
bool m_gmres; //!< @deprecated
int m_mgmres; //!< @deprecated
doublereal m_eps_gmres; //!< @deprecated
// work space
vector_fp m_spwork1, m_spwork2, m_spwork3;

2
include/cantera/transport/TransportBase.h
View file

@ -336,8 +336,6 @@ public:
* k = j * nsp + i
*
* The size of mobRat must be at least equal to nsp*nsp
*
* @deprecated This doesn't seem to be the essential input; it should just be the mobility.
*/
DEPRECATED(virtual void mobilityRatio(double* mobRat)) {
err("mobilityRatio");

9
samples/cxx/NASA_coeffs/NASA_coeffs.cpp
View file

@ -61,15 +61,6 @@ void demoprog()
}
printf("\n ");
// modify coefficient A6 of the low-temperature polynomial
// Note that since we are not modifying the high-temperature
// polynomial, a warning will be printed about a discontinuity
// in enthalpy at Tmid.
c[LOW_A6] += 1.0e4;
sp.modifyParams(n, c);
sp.reportParams(n, type, c, minTemp, maxTemp, refPressure);
// print the modified NASA coefficients
printf("\n\n %s (modified):", gas.speciesName(n).c_str());
printf("\n ");

1
src/equil/vcs_MultiPhaseEquil.cpp
View file

@ -20,6 +20,7 @@
#include "cantera/base/ct_defs.h"
#include "cantera/thermo/mix_defs.h"
#include "cantera/base/clockWC.h"
#include "cantera/base/stringUtils.h"
#include "cantera/thermo/ThermoPhase.h"
#include "cantera/thermo/speciesThermoTypes.h"
#include "cantera/thermo/IdealSolidSolnPhase.h"

3
src/equil/vcs_VolPhase.cpp
View file

@ -33,7 +33,6 @@ namespace VCSnonideal
vcs_VolPhase::vcs_VolPhase(VCS_SOLVE* owningSolverObject) :
m_owningSolverObject(0),
VP_ID_(npos),
Domain_ID(-1),
m_singleSpecies(true),
m_gasPhase(false),
m_eqnState(VCS_EOS_CONSTANT),
@ -97,7 +96,6 @@ vcs_VolPhase::~vcs_VolPhase()
vcs_VolPhase::vcs_VolPhase(const vcs_VolPhase& b) :
m_owningSolverObject(b.m_owningSolverObject),
VP_ID_(b.VP_ID_),
Domain_ID(b.Domain_ID),
m_singleSpecies(b.m_singleSpecies),
m_gasPhase(b.m_gasPhase),
m_eqnState(b.m_eqnState),
@ -152,7 +150,6 @@ vcs_VolPhase& vcs_VolPhase::operator=(const vcs_VolPhase& b)
// m_owningSolverObject = b.m_owningSolverObject;
VP_ID_ = b.VP_ID_;
Domain_ID = b.Domain_ID;
m_singleSpecies = b.m_singleSpecies;
m_gasPhase = b.m_gasPhase;
m_eqnState = b.m_eqnState;

1
src/equil/vcs_equilibrate.cpp
View file

@ -18,6 +18,7 @@
#include "cantera/equil/equil.h"
#include "cantera/base/ct_defs.h"
#include "cantera/base/stringUtils.h"
#include "cantera/thermo/mix_defs.h"
#include "cantera/thermo/speciesThermoTypes.h"
#include "cantera/thermo/IdealSolidSolnPhase.h"

2
src/thermo/ConstDensityThermo.cpp
View file

@ -44,7 +44,6 @@ ConstDensityThermo& ConstDensityThermo::operator=(const ConstDensityThermo& righ
m_cp0_R = right.m_cp0_R;
m_g0_RT = right.m_g0_RT;
m_s0_R = right.m_s0_R;
m_expg0_RT = right.m_expg0_RT;
m_pe = right.m_pe;
m_pp = right.m_pp;
@ -167,7 +166,6 @@ void ConstDensityThermo::initThermo()
m_h0_RT.resize(m_kk);
m_g0_RT.resize(m_kk);
m_expg0_RT.resize(m_kk);
m_cp0_R.resize(m_kk);
m_s0_R.resize(m_kk);
m_pe.resize(m_kk, 0.0);

16
src/thermo/GeneralSpeciesThermo.cpp
View file

@ -292,22 +292,6 @@ reportParams(size_t index, int& type, doublereal* const c,
}
}
//! Modify parameters for the standard state
/*!
* @param index Species index
* @param c Vector of coefficients used to set the
* parameters for the standard state.
*/
void GeneralSpeciesThermo::
modifyParams(size_t index, doublereal* c)
{
SpeciesThermoInterpType* sp = m_sp[index];
if (sp) {
sp->modifyParameters(c);
}
}
/**
* Return the lowest temperature at which the thermodynamic
* parameterization is valid. If no argument is supplied, the

15
src/thermo/HMWSoln.cpp
View file

@ -1425,21 +1425,6 @@ doublereal HMWSoln::satPressure(doublereal t) const
return pres;
}
/*
* Report the molar volume of species k
*
* units - \f$ m^3 kmol^-1 \f$
*/
double HMWSoln::speciesMolarVolume(int k) const
{
double vol = m_speciesSize[k];
if (k == 0) {
double dd = m_waterSS->density();
vol = molecularWeight(0)/dd;
}
return vol;
}
/*
* A_Debye_TP() (virtual)
*

1
src/thermo/Mu0Poly.cpp
View file

@ -11,6 +11,7 @@
#include "cantera/thermo/SpeciesThermo.h"
#include "cantera/base/xml.h"
#include "cantera/base/ctml.h"
#include "cantera/base/stringUtils.h"
using namespace std;
using namespace ctml;

34
src/thermo/NasaThermo.h
View file

@ -426,40 +426,6 @@ public:
}
}
//! Modify parameters for the standard state
/*!
* This utility function modifies the array of coefficients.
* The array is the same as that returned by reportParams, so
* a call can first be made to reportParams to populate the
* array, and then modifyParams can be called to alter
* selected values. For the NASA object, there are 15
* coefficients.
* @param index Species index
* @param c Vector of coefficients used to set the
* parameters for the standard state.
*/
virtual void modifyParams(size_t index, doublereal* c) {
int type = reportType(index);
if (type == NASA) {
size_t grp = m_group_map[index];
size_t pos = m_posInGroup_map[index];
std::vector<NasaPoly1> &mlg = m_low[grp-1];
std::vector<NasaPoly1> &mhg = m_high[grp-1];
NasaPoly1* lowPoly = &(mlg[pos]);
NasaPoly1* highPoly = &(mhg[pos]);
doublereal tmid = lowPoly->maxTemp();
if (c[0] != tmid) {
throw CanteraError(" ", "Tmid cannot be changed");
}
lowPoly->modifyParameters(c + 1);
highPoly->modifyParameters(c + 8);
checkContinuity(m_name[index], c[0], c + 1, c + 8);
} else {
throw CanteraError(" ", "confused");
}
}
#ifdef H298MODIFY_CAPABILITY
virtual doublereal reportOneHf298(const int k) const {

36
src/thermo/Phase.cpp
View file

@ -112,16 +112,6 @@ Phase::~Phase()
}
}
inline void Phase::stateMFChangeCalc(bool forcerChange)
{
// Right now we assume that the mole fractions have changed every time
// the function is called
m_stateNum++;
if (m_stateNum > 1000000) {
m_stateNum = -10000000;
}
}
XML_Node& Phase::xml()
{
return *m_xml;
@ -342,9 +332,7 @@ void Phase::setMoleFractions(const doublereal* const x)
* Calculate the normalized molecular weight
*/
m_mmw = sum/norm;
// Call a routine to determine whether state has changed.
stateMFChangeCalc();
m_stateNum++;
}
void Phase::setMoleFractions_NoNorm(const doublereal* const x)
@ -354,9 +342,7 @@ void Phase::setMoleFractions_NoNorm(const doublereal* const x)
transform(x, x + m_kk, m_ym.begin(), timesConstant<double>(rmmw));
transform(m_ym.begin(), m_ym.begin() + m_kk, m_molwts.begin(),
m_y.begin(), multiplies<double>());
// Call a routine to determine whether state has changed.
stateMFChangeCalc();
m_stateNum++;
}
void Phase::setMoleFractionsByName(compositionMap& xMap)
@ -395,9 +381,7 @@ void Phase::setMassFractions(const doublereal* const y)
transform(m_y.begin(), m_y.end(), m_rmolwts.begin(),
m_ym.begin(), multiplies<double>());
m_mmw = 1.0 / accumulate(m_ym.begin(), m_ym.end(), 0.0);
// Call a routine to determine whether state has changed.
stateMFChangeCalc();
m_stateNum++;
}
void Phase::setMassFractions_NoNorm(const doublereal* const y)
@ -408,9 +392,7 @@ void Phase::setMassFractions_NoNorm(const doublereal* const y)
multiplies<double>());
sum = accumulate(m_ym.begin(), m_ym.end(), 0.0);
m_mmw = 1.0/sum;
// Call a routine to determine whether state has changed.
stateMFChangeCalc();
m_stateNum++;
}
void Phase::setMassFractionsByName(compositionMap& yMap)
@ -518,12 +500,6 @@ void Phase::getMolecularWeights(vector_fp& weights) const
copy(mw.begin(), mw.end(), weights.begin());
}
void Phase::getMolecularWeights(int iwt, doublereal* weights) const
{
const vector_fp& mw = molecularWeights();
copy(mw.begin(), mw.end(), weights);
}
void Phase::getMolecularWeights(doublereal* weights) const
{
const vector_fp& mw = molecularWeights();
@ -619,9 +595,7 @@ void Phase::setConcentrations(const doublereal* const conc)
m_ym[k] = m_y[k] * rsum;
m_y[k] = m_ym[k] * m_molwts[k]; // m_y is now the mass fraction
}
// Call a routine to determine whether state has changed.
stateMFChangeCalc();
m_stateNum++;
}
doublereal Phase::molarDensity() const

29
src/thermo/ShomateThermo.h
View file

@ -425,35 +425,6 @@ public:
}
}
//! Modify parameters for the standard state
/*!
* @param index Species index
* @param c Vector of coefficients used to set the
* parameters for the standard state.
*/
virtual void modifyParams(size_t index, doublereal* c) {
int type = reportType(index);
if (type == SHOMATE) {
size_t grp = m_group_map[index];
size_t pos = m_posInGroup_map[index];
std::vector<ShomatePoly> &mlg = m_low[grp-1];
std::vector<ShomatePoly> &mhg = m_high[grp-1];
ShomatePoly* lowPoly = &(mlg[pos]);
ShomatePoly* highPoly = &(mhg[pos]);
doublereal tmid = lowPoly->maxTemp();
if (fabs(c[0] - tmid) > 0.001) {
throw CanteraError("modifyParams", "can't change mid temp");
}
lowPoly->modifyParameters(c + 1);
highPoly->modifyParameters(c + 8);
} else {
throw CanteraError(" ", "confused");
}
}
#ifdef H298MODIFY_CAPABILITY
virtual doublereal reportOneHf298(int k) const {

32
src/thermo/SpeciesThermoFactory.cpp
View file

@ -166,28 +166,6 @@ SpeciesThermo* SpeciesThermoFactory::newSpeciesThermo(std::vector<XML_Node*> & s
+ SHOMATE*ishomate + SIMPLE*isimple);
}
/*
* @todo is this used?
*/
SpeciesThermo* SpeciesThermoFactory::
newSpeciesThermoOpt(std::vector<XML_Node*> & spDataNodeList) const
{
int inasa = 0, ishomate = 0, isimple = 0, iother = 0;
try {
getSpeciesThermoTypes(spDataNodeList, inasa, ishomate, isimple, iother);
} catch (UnknownSpeciesThermoModel) {
iother = 1;
popError();
}
if (iother) {
return new GeneralSpeciesThermo();
}
return newSpeciesThermo(NASA*inasa
+ SHOMATE*ishomate + SIMPLE*isimple);
}
SpeciesThermo* SpeciesThermoFactory::newSpeciesThermo(int type) const
{
switch (type) {
@ -908,18 +886,12 @@ SpeciesThermo* newSpeciesThermoMgr(std::string& stype,
* @param opt Boolean defaults to false.
*/
SpeciesThermo* newSpeciesThermoMgr(std::vector<XML_Node*> spData_nodes,
SpeciesThermoFactory* f, bool opt)
SpeciesThermoFactory* f)
{
if (f == 0) {
f = SpeciesThermoFactory::factory();
}
SpeciesThermo* sptherm;
if (opt) {
sptherm = f->newSpeciesThermoOpt(spData_nodes);
} else {
sptherm = f->newSpeciesThermo(spData_nodes);
}
return sptherm;
return f->newSpeciesThermo(spData_nodes);
}
}

6
src/thermo/ThermoFactory.cpp
View file

@ -49,9 +49,10 @@
#include "cantera/thermo/IdealMolalSoln.h"
#include "cantera/thermo/MolarityIonicVPSSTP.h"
#include "cantera/thermo/MixedSolventElectrolyte.h"
#include "cantera/thermo/IdealSolnGasVPSS.h"
#include "cantera/base/stringUtils.h"
#include <cstdlib>
using namespace std;
@ -64,9 +65,6 @@ ThermoFactory* ThermoFactory::s_factory = 0;
mutex_t ThermoFactory::thermo_mutex;
//! Define the number of %ThermoPhase types for use in this factory routine
/*!
* @deprecated This entire structure could be replaced with a std::map
*/
static int ntypes = 23;
//! Define the string name of the %ThermoPhase types that are handled by this factory routine

5
src/thermo/ThermoPhase.cpp
View file

@ -1501,9 +1501,4 @@ void ThermoPhase::reportCSV(std::ofstream& csvFile) const
}
}
std::string report(const ThermoPhase& th, const bool show_thermo)
{
return th.report(show_thermo);
}
}

59
src/transport/MultiTransport.cpp
View file

@ -53,33 +53,6 @@ inline doublereal Frot(doublereal tr, doublereal sqtr)
return 1.0 + c1*sqtr + c2*tr + c3*sqtr*tr;
}
/**
* This method is used by GMRES to multiply the L matrix by a
* vector b. The L matrix has a 3x3 block structure, where each
* block is a K x K matrix. The elements of the upper-right and
* lower-left blocks are all zero. This method is defined so
* that the multiplication only involves the seven non-zero
* blocks.
*/
void L_Matrix::mult(const doublereal* b, doublereal* prod) const
{
integer n = static_cast<int>(nRows())/3;
integer n2 = 2*n;
integer n3 = 3*n;
ct_dgemv(ctlapack::ColMajor, ctlapack::NoTranspose, n, n2, 1.0,
DATA_PTR(data()), static_cast<int>(nRows()), b, 1, 0.0, prod, 1);
ct_dgemv(ctlapack::ColMajor, ctlapack::NoTranspose, n, n3, 1.0,
DATA_PTR(data()) + n, static_cast<int>(nRows()),
b, 1, 0.0, prod+n, 1);
ct_dgemv(ctlapack::ColMajor, ctlapack::NoTranspose, n, n, 1.0,
DATA_PTR(data()) + n*n3 + n2, static_cast<int>(nRows()),
b + n, 1, 0.0, prod+n2, 1);
for (int i = 0; i < n; i++) {
prod[i + n2] += b[i + n2] * value(i + n2, i + n2);
}
}
//////////////////// class MultiTransport methods //////////////
MultiTransport::MultiTransport(thermo_t* thermo)
@ -132,13 +105,6 @@ bool MultiTransport::initGas(GasTransportParams& tr)
m_thermal_tlast = 0.0;
// use LU decomposition by default
m_gmres = false;
// default GMRES parameters
m_mgmres = 100;
m_eps_gmres = 1.e-4;
// some work space
m_spwork1.resize(m_nsp);
m_spwork2.resize(m_nsp);
@ -546,30 +512,7 @@ void MultiTransport::getMolarFluxes(const doublereal* const state1,
fluxes[k] /= m_mw[k];
}
}
//====================================================================================================================
// Set the solution method for inverting the L matrix
/*
* @param method enum TRANSOLVE_TYPE Either use direct or TRANSOLVE_GMRES
*/
void MultiTransport::setSolutionMethod(TRANSOLVE_TYPE method)
{
if (method == TRANSOLVE_GMRES) {
m_gmres = true;
} else {
m_gmres = false;
}
}
//====================================================================================================================
void MultiTransport::setOptions_GMRES(int m, doublereal eps)
{
if (m > 0) {
m_mgmres = m;
}
if (eps > 0.0) {
m_eps_gmres = eps;
}
}
//====================================================================================================================
void MultiTransport::getMultiDiffCoeffs(const size_t ld, doublereal* const d)
{
doublereal p = pressure_ig();