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Remove code deprecated in Cantera 2.3.0

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This commit is contained in:
Ray Speth 2017-02-11 22:18:44 -05:00
parent 66998a5ae1
commit 7673f7cb52
271 changed files with 129 additions and 11901 deletions
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18
include/cantera/Interface.h
View file

@ -57,24 +57,6 @@ public:
m_ok = true;
}
Interface(const Interface& ii) :
SurfPhase(ii),
InterfaceKinetics(ii),
m_ok(ii.m_ok),
m_r(ii.m_r) {
}
Interface& operator=(const Interface& right) {
if (this == &right) {
return *this;
}
SurfPhase::operator=(right);
InterfaceKinetics::operator=(right);
m_ok = right.m_ok;
m_r = right.m_r;
return *this;
}
//! Not operator
bool operator!() {
return !m_ok;

22
include/cantera/base/Array.h
View file

@ -194,28 +194,6 @@ public:
}
}
//! Evaluate z = a*x + y.
/*!
* This function evaluates the AXPY operation, and stores the result in the
* object's Array2D object. It's assumed that all 3 objects have the same
* dimensions, but no error checking is done.
*
* @param a scalar to multiply x with
* @param x First Array2D object to be used
* @param y Second Array2D object to be used
* @deprecated Unused. To be removed after Cantera 2.3.
*/
void axpy(doublereal a, const Array2D& x, const Array2D& y) {
warn_deprecated("Array2D::axpy",
"Unused. To be removed after Cantera 2.3.");
auto b = begin();
auto xb = x.begin();
auto yb = y.begin();
for (; b != end(); ++b, ++xb, ++yb) {
*b = a*(*xb) + *yb;
}
}
//! Set all of the entries to zero
void zero() {
m_data.assign(m_data.size(), 0.0);

4
include/cantera/base/ctexceptions.h
View file

@ -94,10 +94,6 @@ public:
//! Get a description of the error
const char* what() const throw();
//! Function to put this error onto Cantera's error stack
//! @deprecated Unused. To be removed after Cantera 2.3.
void save();
//! Method overridden by derived classes to format the error message
virtual std::string getMessage() const;

82
include/cantera/base/ctml.h
View file

@ -18,51 +18,6 @@ namespace Cantera
{
class Array2D;
//! const Specifying the CTML version number
/*!
* @deprecated Unused. To be removed after Cantera 2.3.
*/
const std::string CTML_Version = "1.4.1";
//! This function adds a child node with the name, "integer", with a value
//! consisting of a single integer
/*!
* This function will add a child node to the current XML node, with the name
* "integer". It will have a title attribute, and the body of the XML node will
* be filled out with a single integer
*
* Example:
*
* @code
* const XML_Node &node;
* std::string titleString = "maxIterations";
* int value = 1000;
* std::string typeString = "optional";
* std::string units = "";
* addInteger(node, titleString, value, typeString, units);
* @endcode
*
* Creates the following the snippet in the XML file:
*
* <parentNode>
* <integer title="maxIterations" type="optional">
* 100
* <\integer>
* <\parentNode>
*
* @param node reference to the XML_Node object of the parent XML element
* @param titleString String name of the title attribute
* @param value Value - single integer
* @param unitsString String name of the Units attribute. The default is to
* have an empty string.
* @param typeString String type. This is an optional parameter. The default
* is to have an empty string.
* @deprecated Unused. to be removed after Cantera 2.3.
*/
void addInteger(XML_Node& node, const std::string& titleString,
const int value, const std::string& unitsString="",
const std::string& typeString="");
//! This function adds a child node with the name, "float", with a value
//! consisting of a single floating point number
/*!
@ -543,43 +498,6 @@ bool getOptionalFloat(const XML_Node& parent, const std::string& name,
*/
int getInteger(const XML_Node& parent, const std::string& name);
//! Get a floating-point value from a child element with a defined units field
/*!
* Returns a doublereal value for the child named 'name' of element 'parent'.
* 'type' must be supplied and match a known unit type. Note, it's an error
* for the child element not to exist.
*
* Example:
*
* @code
* const XML_Node &State_XMLNode;
* doublereal pres = OneAtm;
* if (state_XMLNode.hasChild("pressure")) {
* pres = getFloatDefaultUnits(State_XMLNode, "pressure", "Pa", "toSI");
* }
* @endcode
*
* reads the corresponding XML file:
*
* <state>
* <pressure units="Pa"> 101325.0 </pressure>
* <\state>
*
* @param parent reference to the XML_Node object of the parent XML element
* @param name Name of the XML child element
* @param defaultUnits Default units string to be found in the units attribute.
* If the units string in the XML field is equal to defaultUnits,
* no units conversion will be carried out.
* @param type String type. Currently known types are "toSI" and "actEnergy",
* and "" , for no conversion. The default value is "",
* which implies that no conversion is allowed.
* @deprecated Use getFloat and toSI directly. To be removed after Cantera 2.3.
*/
doublereal getFloatDefaultUnits(const XML_Node& parent,
const std::string& name,
const std::string& defaultUnits,
const std::string& type="toSI");
//! Get an optional model name from a named child node.
/*!
* Returns the model name attribute for the child named 'nodeName' of element

29
include/cantera/base/global.h
View file

@ -28,35 +28,6 @@ namespace Cantera
class XML_Node;
class Logger;
//! Return the number of errors that have been encountered so far
/*!
* @ingroup errorhandling
* @deprecated Unused. To be removed after Cantera 2.3.
*/
int nErrors();
//! @copydoc Application::Messages::lastErrorMessage
//! @deprecated Unused. To be removed after Cantera 2.3.
std::string lastErrorMessage();
//! @copydoc Application::Messages::addError
//! @deprecated Unused. To be removed after Cantera 2.3.
void setError(const std::string& r, const std::string& msg);
//! @copydoc Application::Messages::getErrors
//! @deprecated Unused. To be removed after Cantera 2.3.
void showErrors(std::ostream& f);
//! @copydoc Application::Messages::logErrors
//! @deprecated Unused. To be removed after Cantera 2.3.
void showErrors();
//! @copydoc Application::Messages::popError
//! @deprecated Unused. To be removed after Cantera 2.3.
void popError();
/*!
* @defgroup inputfiles Input File Handling
*

51
include/cantera/base/stringUtils.h
View file

@ -20,29 +20,6 @@ namespace Cantera
namespace ba = boost::algorithm;
//! Convert a double into a c++ string
/*!
* @param x double to be converted
* @param fmt Format to be used (printf style)
* @deprecated Unused. To be removed after Cantera 2.3. Use fmt::format instead
*/
std::string fp2str(const double x, const std::string& fmt="%g");
//! Convert an int to a string using a format converter
/*!
* @param n int to be converted
* @param fmt format converter for an int int the printf command
* @deprecated Unused. To be removed after Cantera 2.3. Use fmt::format instead
*/
std::string int2str(const int n, const std::string& fmt="%d");
//! Convert an unsigned integer to a string
/*!
* @param n int to be converted
* @deprecated Unused. To be removed after Cantera 2.3. Use fmt::format instead
*/
std::string int2str(const size_t n);
//! Convert a vector to a string (separated by commas)
/*!
* @param v vector to be converted
@ -52,16 +29,6 @@ std::string int2str(const size_t n);
std::string vec2str(const vector_fp& v, const std::string& fmt="%g",
const std::string& sep=", ");
//! Strip the leading and trailing white space from a string
/*!
* The command isprint() is used to determine printable characters.
*
* @param s Input string
* @returns a copy of the string, stripped of leading and trailing white space
* @deprecated Use `boost::algorithm::trim_copy` instead
*/
std::string stripws(const std::string& s);
//! Strip non-printing characters wherever they are
/*!
* @param s Input string
@ -69,15 +36,6 @@ std::string stripws(const std::string& s);
*/
std::string stripnonprint(const std::string& s);
//! Cast a copy of a string to lower case
/*!
* @param s Input string
* @returns a copy of the string, with all characters lowercase.
* @deprecated Use boost::algorithm::to_lower_copy instead. To be removed after
* Cantera 2.3.
*/
std::string lowercase(const std::string& s);
//! Parse a composition string into a map consisting of individual
//! key:composition pairs.
/*!
@ -161,15 +119,6 @@ doublereal fpValueCheck(const std::string& val);
*/
std::string parseSpeciesName(const std::string& nameStr, std::string& phaseName);
//! Line wrap a string via a copy operation
/*!
* @param s Input string to be line wrapped
* @param len Length at which to wrap. The default is 70.
* @deprecated Unused. To be removed after Cantera 2.3.
*/
std::string wrapString(const std::string& s,
const int len=70);
//! Interpret one or two token string as a single double
/*!
* This is similar to atof(). However, the second token is interpreted as an

54
include/cantera/base/utilities.h
View file

@ -481,37 +481,6 @@ R poly3(D x, R* c)
return (((c[3]*x + c[2])*x + c[1])*x + c[0]);
}
//! Templated deep copy of a std vector of pointers
/*!
* Performs a deep copy of a std vectors of pointers to an object. This template
* assumes that that the templated object has a functioning copy constructor.
*
* @param fromVec Vector of pointers to a templated class. This will be
* deep-copied to the other vector
* @param toVec Vector of pointers to a templated class. This will be
* overwritten and on return will be a copy of the fromVec
* @deprecated Used only in deprecated code. To be removed after Cantera 2.3.
*/
template<class D>
void deepStdVectorPointerCopy(const std::vector<D*> &fromVec, std::vector<D*> &toVec)
{
warn_deprecated("deepStdVectorPointerCopy", "Used only in deprecated code."
" To be removed after Cantera 2.3.");
size_t is = toVec.size();
for (size_t i = 0; i < is; i++) {
delete toVec[i];
}
is = fromVec.size();
toVec.resize(is);
for (size_t i = 0; i < is; i++) {
if (fromVec[i]) {
toVec[i] = new D(*fromVec[i]);
} else {
toVec[i] = 0;
}
}
}
//@}
//! Check to see that a number is finite (not NaN, +Inf or -Inf)
@ -526,29 +495,10 @@ void checkFinite(const double tmp);
*/
void checkFinite(const std::string& name, double* values, size_t N);
//! Const accessor for a value in a std::map.
/*!
* This is a const alternative to operator[]. Roughly equivalent to the 'at'
* member function introduced in C++11. Throws std::out_of_range if the key
* does not exist.
* @deprecated Use `map.at(key)` instead. To be removed after Cantera 2.3.
*/
template <class T, class U>
const U& getValue(const std::map<T, U>& m, const T& key) {
warn_deprecated("getValue(map, key)",
"Use map.at(key) instead. To be removed after Cantera 2.3.");
typename std::map<T,U>::const_iterator iter = m.find(key);
if (iter == m.end()) {
throw std::out_of_range("std::map: key not found");
} else {
return iter->second;
}
}
//! Const accessor for a value in a std::map.
/*
* Similar to the two-argument version of getValue, but returns *default_val*
* if the key is not found instead of throwing an exception.
* Similar to std::map.at(key), but returns *default_val* if the key is not
* found instead of throwing an exception.
*/
template <class T, class U>
const U& getValue(const std::map<T, U>& m, const T& key, const U& default_val) {

4
include/cantera/clib/ct.h
View file

@ -50,7 +50,7 @@ extern "C" {
CANTERA_CAPI int thermo_print(int nth, int show_thermo, double threshold);
CANTERA_CAPI double thermo_nAtoms(int n, size_t k, size_t m);
CANTERA_CAPI int thermo_addElement(int n, const char* name, double weight);
CANTERA_CAPI int thermo_eosType(int n);
CANTERA_CAPI int thermo_getEosType(int n, size_t leneos, char* eos);
CANTERA_CAPI double thermo_refPressure(int n);
CANTERA_CAPI double thermo_minTemp(int n, int k);
CANTERA_CAPI double thermo_maxTemp(int n, int k);
@ -131,7 +131,7 @@ extern "C" {
CANTERA_CAPI int kin_setMultiplier(int n, int i, double v);
CANTERA_CAPI int kin_isReversible(int n, int i);
CANTERA_CAPI int kin_type(int n);
CANTERA_CAPI int kin_getType(int n, size_t len, char* name);
CANTERA_CAPI size_t kin_start(int n, int p);
CANTERA_CAPI size_t kin_speciesIndex(int n, const char* nm, const char* ph);
CANTERA_CAPI int kin_advanceCoverages(int n, double tstep);

3
include/cantera/clib/ctreactor.h
View file

@ -41,7 +41,7 @@ extern "C" {
CANTERA_CAPI int reactornet_setSensitivityTolerances(int i, double rtol, double atol);
CANTERA_CAPI int reactornet_addreactor(int i, int n);
CANTERA_CAPI int reactornet_advance(int i, double t);
CANTERA_CAPI double reactornet_step(int i, double t);
CANTERA_CAPI double reactornet_step(int i);
CANTERA_CAPI double reactornet_time(int i);
CANTERA_CAPI double reactornet_rtol(int i);
CANTERA_CAPI double reactornet_atol(int i);
@ -59,7 +59,6 @@ extern "C" {
CANTERA_CAPI int wall_new(int type);
CANTERA_CAPI int wall_del(int i);
CANTERA_CAPI int wall_install(int i, int n, int m);
CANTERA_CAPI int wall_setkinetics(int i, int n, int m);
CANTERA_CAPI double wall_vdot(int i, double t);
CANTERA_CAPI double wall_Q(int i, double t);
CANTERA_CAPI double wall_area(int i);

30
include/cantera/electrolyteThermo.h
View file

@ -1,30 +0,0 @@
/**
* @file electrolyteThermo.h
*
* Support for thermo property calculation from C++ application programs.
* This header file includes several headers from the Cantera kernel needed
* to evaluate thermo properties.
* @deprecated To be removed after Cantera 2.3. Include relevant headers directly.
*/
#ifndef CT_ELECTROLYTETHERMO_INCL
#define CT_ELECTROLYTETHERMO_INCL
#pragma message "Deprecated. electrolyteThermo.h will be removed after Cantera 2.3. Include relevant headers directly."
#include "thermo/electrolytes.h"
#include "thermo/MolalityVPSSTP.h"
#include "thermo/VPStandardStateTP.h"
#include "thermo/IdealMolalSoln.h"
#include "thermo/WaterPropsIAPWS.h"
#include "thermo/WaterProps.h"
#include "thermo/PDSS.h"
#include "thermo/PDSS_Water.h"
#include "thermo/PDSS_HKFT.h"
#include "thermo/HMWSoln.h"
#include "thermo/DebyeHuckel.h"
#include "thermo/WaterSSTP.h"
#include "thermo/VPSSMgr_Water_HKFT.h"
#include "thermo/VPSSMgr_Water_ConstVol.h"
#endif

69
include/cantera/equil/vcs_MultiPhaseEquil.h
View file

@ -76,33 +76,6 @@ public:
virtual ~vcs_MultiPhaseEquil() {}
//! Return the index of the ith component
/*!
* Returns the index of the ith component in the equilibrium calculation.
* The index refers to the ordering of the species in the MultiPhase object.
*
* @param m Index of the component. Must be between 0 and the number of
* components, which can be obtained from the numComponents() command.
* @deprecated Unused. To be removed after Cantera 2.3.
*/
size_t component(size_t m) const;
//! Get the stoichiometric reaction coefficients for a single
//! reaction index
/*!
* This returns a stoichiometric reaction vector for a single formation
* reaction for a noncomponent species. There are (nSpecies() - nComponents)
* formation reactions. Each formation reaction will have a value of 1.0 for
* the species that is being formed, and the other non-zero coefficients
* will all involve the components of the mixture.
*
* @param rxn Reaction number.
* @param nu Vector of coefficients for the formation reaction. Length is
* equal to the number of species in the MultiPhase object.
* @deprecated Unused. To be removed after Cantera 2.3.
*/
void getStoichVector(size_t rxn, vector_fp& nu);
//! return the number of iterations
int iterations() const {
return m_iter;
@ -264,22 +237,6 @@ public:
int printLvl = 0, doublereal err = 1.0E-6,
int maxsteps = VCS_MAXSTEPS, int logLevel = -99);
//! Determine the phase stability of a phase at the current conditions
/*!
* Equilibration of the solution is not done before the determination is
* made.
*
* @param iph Phase number to determine the equilibrium. If the phase
* has a non-zero mole number....
* @param funcStab Value of the phase pop function
* @param printLvl Determines the amount of printing that gets sent to
* stdout from the vcs package (Note, you may have to compile with debug
* flags to get some printing).
* @param logLevel Determines the amount of printing to the output file.
* @deprecated Broken and unused. To be removed after Cantera 2.3.
*/
int determine_PhaseStability(int iph, double& funcStab, int printLvl= 0, int logLevel = -99);
//! Report the equilibrium answer in a comma separated table format
/*!
* This routine is used for in the test suite.
@ -289,22 +246,6 @@ public:
*/
void reportCSV(const std::string& reportFile);
//! reports the number of components in the equilibration problem
/*!
* @returns the number of components. If an equilibrium
* problem hasn't been solved yet, it returns -1.
* @deprecated Unused. To be removed after Cantera 2.3.
*/
size_t numComponents() const;
//! Reports the number of element constraints in the equilibration problem
/*!
* @returns the number of element constraints. If an equilibrium problem
* hasn't been solved yet, it returns -1.
* @deprecated Unused. To be removed after Cantera 2.3.
*/
size_t numElemConstraints() const;
// Friend functions
friend int vcs_Cantera_to_vprob(MultiPhase* mphase, VCS_PROB* vprob);
friend int vcs_Cantera_update_vprob(MultiPhase* mphase, VCS_PROB* vprob);
@ -370,16 +311,6 @@ protected:
VCS_SOLVE m_vsolve;
};
//! Global hook for turning on and off time printing.
/*!
* Default is to allow printing. But, you can assign this to zero globally to
* turn off all time printing. This is helpful for test suite purposes where
* you are interested in differences in text files.
* @deprecated Call `VCS_SOLVE::disable_timing()` instead. To be removed after
* Cantera 2.3.
*/
extern int vcs_timing_print_lvl;
}
#endif

27
include/cantera/equil/vcs_VolPhase.h
View file

@ -103,17 +103,6 @@ public:
void elemResize(const size_t numElemConstraints);
//! Evaluate activity coefficients and return the kspec coefficient
/*!
* We carry out a calculation whenever #m_UpToDate_AC is false. Specifically
* whenever a phase goes zero, we do not carry out calculations on it.
*
* @param kspec species number
* @deprecated Unused. To be removed after Cantera 2.3.
*/
double AC_calc_one(size_t kspec) const;
//! Set the moles and/or mole fractions within the phase
/*!
* @param molNum total moles in the phase
@ -449,14 +438,6 @@ public:
*/
int elementType(const size_t e) const;
//! Set the element Type of the element constraint with index \c e.
/*!
* @param e Element index
* @param eType type of the element.
* @deprecated Unused. To be removed after Cantera 2.3.
*/
void setElementType(const size_t e, const int eType);
//! Transfer all of the element information from the ThermoPhase object to
//! the vcs_VolPhase object.
/*!
@ -843,14 +824,6 @@ private:
double Pres_;
};
//! Return a string representing the equation of state
/*!
* @param EOSType : integer value of the equation of state
* @return a string representing the EOS. The string is no more than 16 characters.
* @deprecated Use vcs_VolPhase::eos_name instead. To be removed after Cantera 2.3.
*/
std::string string16_EOSType(int EOSType);
}
#endif

24
include/cantera/equil/vcs_prob.h
View file

@ -190,30 +190,6 @@ public:
~VCS_PROB();
//! Resizes all of the phase lists within the structure
/*!
* Note, this doesn't change the number of phases in the problem. It will
* change #NPHASE0 if `nPhase` is greater than #NPHASE0.
*
* @param nPhase size to dimension all the phase lists to
* @param force If true, this will dimension the size to be equal to
* `nPhase` even if `nPhase` is less than the current value of NPHASE0
* @deprecated Unused. To be removed after Cantera 2.3.
*/
void resizePhase(size_t nPhase, int force);
//! Resizes all of the species lists within the structure
/*!
* Note, this doesn't change the number of species in the problem.
* It will change #NSPECIES0 if `nsp` is greater than #NSPECIES0.
*
* @param nsp size to dimension all the species lists to
* @param force If true, this will dimension the size to be equal to `nsp`
* even if `nsp` is less than the current value of #NSPECIES0
* @deprecated Unused. To be removed after Cantera 2.3.
*/
void resizeSpecies(size_t nsp, int force);
//! Resizes all of the element lists within the structure
/*!
* Note, this doesn't change the number of element constraints in the

292
include/cantera/equil/vcs_solve.h
View file

@ -118,9 +118,6 @@ public:
*/
int vcs_solve_TP(int print_lvl, int printDetails, int maxit);
//! @deprecated Broken and unused. To be removed after Cantera 2.3.
int vcs_PS(VCS_PROB* vprob, int iph, int printLvl, double& feStable);
/*!
* We make decisions on the initial mole number, and major-minor status
* here. We also fix up the total moles in a phase.
@ -244,88 +241,6 @@ public:
*/
bool vcs_evaluate_speciesType();
//! We calculate the dimensionless chemical potentials of all species
//! in a single phase.
/*!
* Note, for multispecies phases which are currently zeroed out, the
* chemical potential is filled out with the standard chemical potential.
*
* For species in multispecies phases whose concentration is zero, we need
* to set the mole fraction to a very low value. Its chemical potential is
* then calculated using the #VCS_DELETE_MINORSPECIES_CUTOFF concentration
* to keep numbers positive.
*
* # Formula:
*
* ## Ideal Mixtures:
*
* m_feSpecies(I) = m_SSfeSpecies(I) + ln(z(I)) - ln(m_tPhaseMoles[iph])
* + m_chargeSpecies[I] * Faraday_dim * m_phasePhi[iphase];
*
* (This is equivalent to the adding the log of the mole fraction onto
* the standard chemical potential. )
*
* ## Non-Ideal Mixtures:
*
* ### ActivityConvention = 0: molarity activity formulation
*
* m_feSpecies(I) = m_SSfeSpecies(I)
* + ln(ActCoeff[I] * z(I)) - ln(m_tPhaseMoles[iph])
* + m_chargeSpecies[I] * Faraday_dim * m_phasePhi[iphase];
*
* (This is equivalent to the adding the log of the mole fraction multiplied
* by the activity coefficient onto the standard chemical potential.)
*
* ### ActivityConvention = 1: molality activity formulation
*
* m_feSpecies(I) = m_SSfeSpecies(I)
* + ln(ActCoeff[I] * z(I)) - ln(m_tPhaseMoles[iph])
* - ln(Mnaught * m_units)
* + m_chargeSpecies[I] * Faraday_dim * m_phasePhi[iphase];
*
* Note: `m_SSfeSpecies(I)` is the molality based standard state. However,
* `ActCoeff[I]` is the molar based activity coefficient We have used the
* formulas:
*
* ActCoeff_M[I] = ActCoeff[I] / Xmol[N]
*
* where `Xmol[N]` is the mole fraction of the solvent and `ActCoeff_M[I]`
* is the molality based act coeff.
*
* Note: This is equivalent to the "normal" molality formulation:
*
* m_feSpecies(I) = m_SSfeSpecies(I)
* + ln(ActCoeff_M[I] * m(I))
* + m_chargeSpecies[I] * Faraday_dim * m_phasePhi[iphase]
*
* where `m[I]` is the molality of the ith solute
*
* m[I] = Xmol[I] / ( Xmol[N] * Mnaught * m_units)
*
* `z(I)/tPhMoles_ptr[iph] = Xmol[i]` is the mole fraction of i in the phase.
*
* NOTE: As per the discussion in vcs_dfe(), for small species where the
* mole fraction is small:
*
* z(i) < VCS_DELETE_MINORSPECIES_CUTOFF
*
* The chemical potential is calculated as:
*
* m_feSpecies(I) = m_SSfeSpecies(I)
* + ln(ActCoeff[i](VCS_DELETE_MINORSPECIES_CUTOFF))
*
* @param[in] iph Phase to be calculated
* @param[in] molNum Number of moles of species i (VCS species order)
* @param[out] ac Activity coefficients for species in phase (VCS
* species order)
* @param[out] mu_i Dimensionless chemical potentials for phase
* species (VCS species order)
* @deprecated Unused. To be removed after Cantera 2.3.
*/
void vcs_chemPotPhase(const int stateCalc, const size_t iph, const double* const molNum,
double* const ac, double* const mu_i,
const bool do_deleted = false);
//! Calculate the dimensionless chemical potentials of all species or
//! of certain groups of species, at a fixed temperature and pressure.
/*!
@ -412,15 +327,6 @@ public:
*/
void vcs_dfe(const int stateCalc, const int ll, const size_t lbot, const size_t ltop);
//! Print out a table of chemical potentials
/*!
* @param stateCalc Determines where to get the mole numbers from.
* - VCS_STATECALC_OLD -> from m_molNumSpecies_old
* - VCS_STATECALC_NEW -> from m_molNumSpecies_new
* @deprecated Unused. To be removed after Cantera 2.3.
*/
void vcs_printSpeciesChemPot(const int stateCalc) const;
//! This routine uploads the state of the system into all of the
//! vcs_VolumePhase objects in the current problem.
/*!
@ -446,17 +352,6 @@ public:
*/
bool vcs_popPhasePossible(const size_t iphasePop) const;
//! Determine the list of problems that need to be checked to see if there
//! are any phases pops
/*!
* This routine evaluates and fills in #phasePopProblemLists_. Need to
* work in species that are zeroed by element constraints.
*
* @returns the number of problems that must be checked.
* @deprecated Unused. To be removed after Cantera 2.3.
*/
int vcs_phasePopDeterminePossibleList();
//! Decision as to whether a phase pops back into existence
/*!
* @param phasePopPhaseIDs Vector containing the phase ids of the phases
@ -548,28 +443,6 @@ public:
void vcs_printDeltaG(const int stateCalc);
//! Calculate deltag of formation for all species in a single phase.
/*!
* Calculate deltag of formation for all species in a single phase. It is
* assumed that the fe[] is up to date for all species. However, if the
* phase is currently zeroed out, a subproblem is calculated to solve for
* AC[i] and pseudo-X[i] for that phase.
*
* @param iphase phase index of the phase to be calculated
* @param doDeleted boolean indicating whether to do deleted
* species or not
* @param stateCalc integer describing which set of free energies
* to use and where to stick the results.
* @param alterZeroedPhases boolean indicating whether we should
* add in a special section for zeroed phases.
*
* NOTE: this is currently not used used anywhere.
* It may be in the future?
* @deprecated Unused. To be removed after Cantera 2.3.
*/
void vcs_deltag_Phase(const size_t iphase, const bool doDeleted,
const int stateCalc, const bool alterZeroedPhases = true);
//! Swaps the indices for all of the global data for two species, k1
//! and k2.
/*!
@ -584,51 +457,6 @@ public:
*/
void vcs_switch_pos(const bool ifunc, const size_t k1, const size_t k2);
//! Birth guess returns the number of moles of a species that is coming back
//! to life.
/*!
* Birth guess returns the number of moles of a species that is coming back
* to life. Note, this routine is not applicable if the whole phase is
* coming back to life, not just one species in that phase.
*
* Do a minor alt calculation. But, cap the mole numbers at 1.0E-15. For SS
* phases use VCS_DELETE_SPECIES_CUTOFF * 100.
*
* The routine makes sure the guess doesn't reduce the concentration of a
* component by more than 1/3. Note this may mean that the vlaue coming back
* from this routine is zero or a very small number.
*
* @param kspec Species number that is coming back to life
* @returns the number of kmol that the species should have.
* @deprecated Unused. To be removed after Cantera 2.3.
*/
double vcs_birthGuess(const int kspec);
//! Routine that independently determines whether a phase should be popped
//! under the current conditions.
/*
* This is the main routine that solves for equilibrium at constant T and
* P using a variant of the VCS method. Nonideal phases can be
* accommodated as well. Any number of single-species phases and multi-
* species phases can be handled by the present version.
*
* @param print_lvl 1 -> Print results to standard output; -> don't
* report on anything
* @param printDetails 1 -> Print intermediate results.
* @param maxit Maximum number of iterations for the algorithm
* @return
* - 0 = Equilibrium Achieved
* - 1 = Range space error encountered. The element abundance criteria are
* only partially satisfied. Specifically, the first NC= (number of
* components) conditions are satisfied. However, the full NE (number of
* elements) conditions are not satisfied. The equilibrium condition is
* returned.
* - -1 = Maximum number of iterations is exceeded. Convergence was not
* found.
* @deprecated Broken and unused. To be removed after Cantera 2.3.
*/
int vcs_solve_phaseStability(const int iphase, int ifunc, double& funcval, int print_lvl);
//! Main program to test whether a deleted phase should be brought
//! back into existence
/*!
@ -811,33 +639,6 @@ public:
*/
void vcs_switch_elem_pos(size_t ipos, size_t jpos);
//! Calculates reaction adjustments using a full Hessian approximation
/*!
* This does what equation 6.4-16, p. 143 in Smith and Missen is supposed
* to do. However, a full matrix is formed and then solved via a conjugate
* gradient algorithm. No preconditioning is done.
*
* If special branching is warranted, then the program bails out.
*
* Output
* -------
* DS(I) : reaction adjustment, where I refers to the Ith species
* Special branching occurs sometimes. This causes the component basis
* to be reevaluated
* return = 0 : normal return
* 1 : A single species phase species has been zeroed out
* in this routine. The species is a noncomponent
* 2 : Same as one but, the zeroed species is a component.
*
* Special attention is taken to flag cases where the direction of the
* update is contrary to the steepest descent rule. This is an important
* attribute of the regular vcs algorithm. We don't want to violate this.
*
* NOTE: currently this routine is not used.
* @deprecated Unused. To be removed after Cantera 2.3.
*/
int vcs_rxn_adj_cg();
//! Calculates the diagonal contribution to the Hessian due to
//! the dependence of the activity coefficients on the mole numbers.
/*!
@ -865,21 +666,6 @@ public:
*/
void vcs_CalcLnActCoeffJac(const double* const moleSpeciesVCS);
//! A line search algorithm is carried out on one reaction
/*!
* In this routine we carry out a rough line search algorithm to make
* sure that the m_deltaGRxn_new doesn't switch signs prematurely.
*
* @param irxn Reaction number
* @param dx_orig Original step length
* @param ANOTE Output character string stating the conclusions of the
* line search
* @returns the optimized step length found by the search
* @deprecated Unused. To be removed after Cantera 2.3.
*/
double vcs_line_search(const size_t irxn, const double dx_orig,
char* const ANOTE=0);
//! Print out a report on the state of the equilibrium problem to
//! standard output.
/*!
@ -890,13 +676,6 @@ public:
*/
int vcs_report(int iconv);
//! Switch all species data back to the original order.
/*!
* This destroys the data based on reaction ordering.
* @deprecated Unused. To be removed after Cantera 2.3.
*/
int vcs_rearrange();
//! Nondimensionalize the problem data
/*!
* Nondimensionalize the free energies using the divisor, R * T
@ -1158,47 +937,6 @@ private:
*/
int vcs_recheck_deleted();
//! Recheck deletion condition for multispecies phases.
/*!
* We assume here that DG_i_0 has been calculated for deleted species
* correctly
*
* m_feSpecies(I) = m_SSfeSpecies(I)
* + ln(ActCoeff[I])
* - ln(Mnaught * m_units)
* + m_chargeSpecies[I] * Faraday_dim * m_phasePhi[iphase];
*
* sum_u = sum_j_comp [ sigma_i_j * u_j ]
* = u_i_O + log((AC_i * W_i)/m_tPhaseMoles_old)
*
* DG_i_0 = m_feSpecies(I) - sum_m{ a_i_m DG_m }
*
* by first evaluating:
*
* DG_i_O = u_i_O - sum_u.
*
* Then, the phase pops into existence iff
*
* phaseDG = 1.0 - sum_i{exp(-DG_i_O)} < 0.0
*
* This formula works for both single species phases and for multispecies
* phases. It's an overkill for single species phases.
*
* @param iphase Phase index number
* @returns true if the phase is currently deleted but should be
* reinstated. Returns false otherwise.
*
* NOTE: this routine is currently not used in the code, and
* contains some basic changes that are incompatible.
*
* assumptions:
* 1. Vphase Existence is up to date
* 2. Vphase->IndSpecies is up to date
* 3. m_deltaGRxn_old[irxn] is up to date
* @deprecated Unused. To be removed after Cantera 2.3.
*/
bool recheck_deleted_phase(const int iphase);
//! Minor species alternative calculation
/*!
* This is based upon the following approximation: The mole fraction
@ -1267,10 +1005,6 @@ private:
*/
double l2normdg(double dg[]) const;
//! Print out and check the elemental abundance vector
//! @deprecated Unused. To be removed after Cantera 2.3.
void prneav() const;
void checkDelta1(double* const ds, double* const delTPhMoles, size_t kspec);
//! Estimate equilibrium compositions
@ -1291,32 +1025,6 @@ private:
//! Calculate the status of single species phases.
void vcs_SSPhase();
//! This function recalculates the deltaG for reaction, irxn
/*!
* This function recalculates the deltaG for reaction irxn, given the mole
* numbers in molNum. It uses the temporary space mu_i, to hold the
* recalculated chemical potentials. It only recalculates the chemical
* potentials for species in phases which participate in the irxn reaction.
* This function is used by the vcs_line_search algorithm() and should not
* be used widely due to the unknown state it leaves the system.
*
* @param[in] irxn Reaction number
* @param[in] molNum Current mole numbers of species to be used as input
* to the calculation (units = kmol), (length = totalNuMSpecies)
* @param[out] ac Activity coefficients (length = totalNumSpecies) Note
* this is only partially formed. Only species in phases that
* participate in the reaction will be updated
* @param[out] mu_i dimensionless chemical potentials (length
* totalNumSpecies) Note this is only partially formed. Only
* species in phases that participate in the reaction will be
* updated
* @returns the dimensionless deltaG of the reaction
* @deprecated Unused. To be removed after Cantera 2.3.
*/
double deltaG_Recalc_Rxn(const int stateCalc,
const size_t irxn, const double* const molNum,
double* const ac, double* const mu_i);
//! Delete memory that isn't just resizable STL containers
/*!
* This gets called by the destructor or by InitSizes().

45
include/cantera/equil/vcs_species_thermo.h
View file

@ -86,51 +86,6 @@ public:
//! Duplication function for derived classes.
virtual VCS_SPECIES_THERMO* duplMyselfAsVCS_SPECIES_THERMO();
/**
* This function calculates the standard state Gibbs free energy
* for species, kspec, at the temperature TKelvin and pressure, Pres.
*
* @param kspec species global index
* @param TKelvin Temperature in Kelvin
* @param pres pressure in Pa
* @return standard state free energy in units of Kelvin.
* @deprecated Unused. To be removed after Cantera 2.3.
*/
virtual double GStar_R_calc(size_t kspec, double TKelvin, double pres);
/**
* This function calculates the standard state Gibbs free energy for
* species, kspec, at the temperature TKelvin
*
* @param kglob species global index.
* @param TKelvin Temperature in Kelvin
* @return standard state free energy in Kelvin.
* @deprecated Unused. To be removed after Cantera 2.3.
*/
virtual double G0_R_calc(size_t kglob, double TKelvin);
/**
* This function calculates the standard state molar volume for species,
* kspec, at the temperature TKelvin and pressure, Pres,
*
* @return standard state volume in m**3 / kmol
* @deprecated Unused. To be removed after Cantera 2.3.
*/
virtual double VolStar_calc(size_t kglob, double TKelvin, double Pres);
/**
* This function evaluates the activity coefficient for species, kspec
*
* Note, T, P and mole fractions are obtained from the single private
* instance of VCS_SOLVE
*
* @param kspec index of the species in the global species list within
* VCS_SOLVE. Phase and local species id can be looked up within object.
* @return activity coefficient for species kspec
* @deprecated Unused. To be removed after Cantera 2.3.
*/
virtual double eval_ac(size_t kspec);
};
}

15
include/cantera/integrators.h
View file

@ -1,15 +0,0 @@
/**
* @file integrators.h
* ODE integrators. Currently, the only integrator is CVODE.
* @deprecated To be removed after Cantera 2.3. Include relevant headers directly.
*/
#ifndef CT_INTEG_H_INCL
#define CT_INTEG_H_INCL
#pragma message "Deprecated. integrators.h will be removed after Cantera 2.3. Include relevant headers directly."
#include "numerics/Integrator.h"
#include "numerics/DAE_Solver.h"
#include "numerics/IDA_Solver.h"
#endif

19
include/cantera/kinetics/AqueousKinetics.h
View file

@ -34,25 +34,6 @@ public:
/// Constructor. Creates an empty reaction mechanism.
AqueousKinetics(thermo_t* thermo = 0);
//! Duplication routine for objects which inherit from Kinetics
/*!
* This virtual routine can be used to duplicate Kinetics objects
* inherited from Kinetics even if the application only has
* a pointer to Kinetics to work with.
*
* These routines are basically wrappers around the derived copy constructor.
*
* @param tpVector Vector of shallow pointers to ThermoPhase objects. this is the
* m_thermo vector within this object
*/
virtual Kinetics* duplMyselfAsKinetics(const std::vector<thermo_t*> & tpVector) const;
virtual int type() const {
warn_deprecated("AqueousKinetics::type",
"To be removed after Cantera 2.3.");
return cAqueousKinetics;
}
virtual std::string kineticsType() const {
return "Aqueous";
}

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

@ -22,7 +22,6 @@ class BulkKinetics : public Kinetics
{
public:
BulkKinetics(thermo_t* thermo = 0);
virtual Kinetics* duplMyselfAsKinetics(const std::vector<thermo_t*> & tpVector) const;
virtual bool isReversible(size_t i);

24
include/cantera/kinetics/EdgeKinetics.h
View file

@ -27,30 +27,6 @@ public:
m_nDim = 1;
}
EdgeKinetics(const EdgeKinetics& right) :
InterfaceKinetics(right) {
*this=right;
}
EdgeKinetics& operator=(const EdgeKinetics& right) {
if (this != &right) {
InterfaceKinetics::operator=(right);
}
return *this;
}
virtual Kinetics* duplMyselfAsKinetics(const std::vector<thermo_t*> & tpVector) const {
EdgeKinetics* iK = new EdgeKinetics(*this);
iK->assignShallowPointers(tpVector);
return iK;
}
virtual int type() const {
warn_deprecated("EdgeKinetics::type",
"To be removed after Cantera 2.3.");
return cEdgeKinetics;
}
virtual std::string kineticsType() const {
return "Edge";
}

8
include/cantera/kinetics/GasKinetics.h
View file

@ -35,14 +35,6 @@ public:
*/
GasKinetics(thermo_t* thermo = 0);
virtual Kinetics* duplMyselfAsKinetics(const std::vector<thermo_t*> & tpVector) const;
virtual int type() const {
warn_deprecated("GasKinetics::type",
"To be removed after Cantera 2.3.");
return cGasKinetics;
}
virtual std::string kineticsType() const {
return "Gas";
}

13
include/cantera/kinetics/ImplicitSurfChem.h
View file

@ -131,19 +131,6 @@ public:
virtual void eval(doublereal t, doublereal* y, doublereal* ydot,
doublereal* p);
//! Set the initial conditions for the solution vector
/*!
* Essentially calls getState()
*
* @param t0 Initial time
* @param leny Length of the solution vector
* @param y Value of the solution vector to be used. On output, this
* contains the initial value of the solution.
* @deprecated Use getState() instead. To be removed after Cantera 2.3.
*/
virtual void getInitialConditions(doublereal t0,
size_t leny, doublereal* y);
//! Get the current state of the solution vector
/*!
* @param y Value of the solution vector to be used.

9
include/cantera/kinetics/InterfaceKinetics.h
View file

@ -9,7 +9,6 @@
#ifndef CT_IFACEKINETICS_H
#define CT_IFACEKINETICS_H
#include "cantera/thermo/mix_defs.h"
#include "Kinetics.h"
#include "Reaction.h"
#include "cantera/base/utilities.h"
@ -70,11 +69,6 @@ public:
InterfaceKinetics(thermo_t* thermo = 0);
virtual ~InterfaceKinetics();
InterfaceKinetics(const InterfaceKinetics& right);
InterfaceKinetics& operator=(const InterfaceKinetics& right);
virtual Kinetics* duplMyselfAsKinetics(const std::vector<thermo_t*> & tpVector) const;
virtual int type() const;
virtual std::string kineticsType() const {
return "Surf";
@ -273,9 +267,6 @@ public:
void setIOFlag(int ioFlag);
//! @deprecated To be removed after Cantera 2.3.
void checkPartialEquil();
//! Update the standard state chemical potentials and species equilibrium
//! constant entries
/*!

77
include/cantera/kinetics/Kinetics.h
View file

@ -13,7 +13,6 @@
#include "cantera/thermo/ThermoPhase.h"
#include "StoichManager.h"
#include "cantera/thermo/mix_defs.h"
#include "cantera/kinetics/Reaction.h"
#include "cantera/base/global.h"
@ -121,57 +120,9 @@ public:
virtual ~Kinetics();
//! @deprecated Copy constructor to be removed after Cantera 2.3 for all
//! classes derived from Kinetics.
Kinetics(const Kinetics&);
//! @deprecated Assignment operator to be removed after Cantera 2.3 for all
//! classes derived from Kinetics.
Kinetics& operator=(const Kinetics& right);
//! Duplication routine for objects which inherit from Kinetics
/*!
* This function can be used to duplicate objects derived from Kinetics
* even if the application only has a pointer to Kinetics to work with.
*
* These routines are basically wrappers around the derived copy
* constructor.
*
* @param tpVector Vector of pointers to ThermoPhase objects. this is the
* #m_thermo vector within this object
* @deprecated To be removed after Cantera 2.3 for all classes derived from
* Kinetics.
*/
virtual Kinetics* duplMyselfAsKinetics(const std::vector<thermo_t*> & tpVector) const;
//! Reassign the pointers within the Kinetics object
/*!
* This type or routine is necessary because the Kinetics object doesn't
* own the ThermoPhase objects. After a duplication, we need to point to
* different ThermoPhase objects.
*
* We check that the ThermoPhase objects are aligned in the same order and
* have the following identical properties to the ones that they are
* replacing:
*
* - ThermoPhase::id()
* - ThermoPhase::type()
* - ThermoPhase::nSpecies()
*
* @param tpVector Vector of pointers to ThermoPhase objects. this is the
* #m_thermo vector within this object
* @deprecated To be removed after Cantera 2.3 for all classes derived from
* Kinetics.
*/
virtual void assignShallowPointers(const std::vector<thermo_t*> & tpVector);
//! Identifies the kinetics manager type.
/*!
* Each class derived from Kinetics should overload this method to return
* a unique integer. Standard values are defined in file mix_defs.h.
* @deprecated Use kineticsType() instead. To be removed after Cantera
* 2.3.
*/
virtual int type() const;
//! Kinetics objects are not copyable or assignable
Kinetics(const Kinetics&) = delete;
Kinetics& operator=(const Kinetics&)= delete;
//! Identifies the Kinetics manager type.
//! Each class derived from Kinetics should override this method to return
@ -748,17 +699,6 @@ public:
*/
virtual void resizeSpecies();
/**
* Finish adding reactions and prepare for use. This method is called by
* importKinetics() after all reactions have been entered into the
* mechanism and before the mechanism is used to calculate reaction rates.
* The base class method does nothing, but derived classes may use this to
* perform any initialization (allocating arrays, etc.) that must be done
* after the reactions are entered.
* @deprecated No longer needed. To be removed after Cantera 2.3.
*/
virtual void finalize();
/**
* Add a single reaction to the mechanism. Derived classes should call the
* base class method in addition to handling their own specialized behavior.
@ -835,17 +775,6 @@ public:
//@}
/**
* Returns true if the kinetics manager has been properly initialized and
* finalized.
* @deprecated Object is always ready. To be removed after Cantera 2.3.
*/
virtual bool ready() const {
warn_deprecated("Kinetics::ready",
"Object is always ready. To be removed after Cantera 2.3.");
return true;
}
//! Check for unmarked duplicate reactions and unmatched marked duplicates
/**
* If `throw_err` is true, then an exception will be thrown if either any

28
include/cantera/kinetics/KineticsFactory.h
View file

@ -77,38 +77,20 @@ private:
/**
* Create a new kinetics manager.
* @deprecated The `KineticsFactory*` argument to this function is deprecated
* and will be removed after Cantera 2.3.
*/
inline Kinetics* newKineticsMgr(XML_Node& phase,
std::vector<ThermoPhase*> th, KineticsFactory* f=0)
inline Kinetics* newKineticsMgr(XML_Node& phase, std::vector<ThermoPhase*> th)
{
if (f == 0) {
f = KineticsFactory::factory();
} else {
warn_deprecated("newKineticsMgr(XML_Node&, KineticsFactory*)",
"The `KineticsFactory*` argument to this function is deprecated and"
" will be removed after Cantera 2.3.");
}
return f->newKinetics(phase, th);
return KineticsFactory::factory()->newKinetics(phase, th);
}
/**
* Create a new kinetics manager.
* @deprecated The `KineticsFactory*` argument to this function is deprecated
* and will be removed after Cantera 2.3.
*/
inline Kinetics* newKineticsMgr(const std::string& model, KineticsFactory* f=0)
inline Kinetics* newKineticsMgr(const std::string& model)
{
if (f == 0) {
f = KineticsFactory::factory();
} else {
warn_deprecated("newKineticsMgr(string, KineticsFactory*)",
"The `KineticsFactory*` argument to this function is deprecated and"
" will be removed after Cantera 2.3.");
}
return f->newKinetics(model);
return KineticsFactory::factory()->newKinetics(model);
}
}
#endif

14
include/cantera/numerics.h
View file

@ -1,14 +0,0 @@
/**
* @file numerics.h
* @deprecated To be removed after Cantera 2.3. Include relevant headers
* directly.
*/
#ifndef CT_NUM_H_INCL
#define CT_NUM_H_INCL
#pragma message "Deprecated. numerics.h will be removed after Cantera 2.3. Include relevant headers directly."
#include "numerics/DenseMatrix.h"
#include "numerics/BandMatrix.h"
#endif

14
include/cantera/numerics/BandMatrix.h
View file

@ -123,18 +123,6 @@ public:
virtual size_t nRows() const;
//! Return the size and structure of the matrix
/*!
* @param iStruct OUTPUT Pointer to a vector of ints that describe the
* structure of the matrix.
*
* istruct[0] = kl
* istruct[1] = ku
* @returns the number of rows and columns in the matrix.
* @deprecated Unused. To be removed after Cantera 2.3.
*/
virtual size_t nRowsAndStruct(size_t* const iStruct = 0) const;
//! Number of columns
size_t nColumns() const;
@ -225,8 +213,6 @@ public:
//! Returns the one norm of the matrix
virtual doublereal oneNorm() const;
virtual GeneralMatrix* duplMyselfAsGeneralMatrix() const;
//! Return a pointer to the top of column j
/*!
* Column values are assumed to be contiguous in memory (LAPACK band matrix

12
include/cantera/numerics/CVodesIntegrator.h
View file

@ -16,18 +16,6 @@
namespace Cantera
{
/**
* Exception thrown when a CVODES error is encountered.
* @deprecated Unused. To be removed after Cantera 2.3.
*/
class CVodesErr : public CanteraError
{
public:
explicit CVodesErr(const std::string& msg) : CanteraError("CVodesIntegrator", msg) {
warn_deprecated("class CVodesErr", "To be removed after Cantera 2.3.");
}
};
/**
* Wrapper class for 'cvodes' integrator from LLNL.
*

22
include/cantera/numerics/DenseMatrix.h
View file

@ -26,28 +26,6 @@ namespace Cantera
*
*/
//! Exception thrown when an LAPACK error is encountered associated with
//! inverting or solving a matrix
/*!
* A named error condition is used so that the calling code may differentiate
* this type of error from other error conditions.
*/
class CELapackError : public CanteraError
{
public:
//! Constructor passes through to main Cantera error handler
/*!
* @param routine Name of calling routine
* @param msg Informative message
* @deprecated Unused. To be removed after Cantera 2.3.
*/
CELapackError(const std::string& routine, const std::string& msg) :
CanteraError(routine + " LAPACK ERROR", msg) {
warn_deprecated("class CELapackError",
"To be removed after Cantera 2.3.");
}
};
//! A class for full (non-sparse) matrices with Fortran-compatible data storage,
//! which adds matrix operations to class Array2D.
/*!

11
include/cantera/numerics/FuncEval.h
View file

@ -49,17 +49,6 @@ public:
*/
int eval_nothrow(double t, double* y, double* ydot);
/**
* Fill the solution vector with the initial conditions
* at initial time t0.
* @deprecated Use getState() instead. To be removed after Cantera 2.3.
*/
virtual void getInitialConditions(double t0, size_t leny, double* y) {
warn_deprecated("FuncEval::getInitialConditions",
"Use getState instead. To be removed after Cantera 2.3.");
getState(y);
}
//! Fill in the vector *y* with the current state of the system
virtual void getState(double* y) {
throw NotImplementedError("FuncEval::getState");

24
include/cantera/numerics/GeneralMatrix.h
View file

@ -22,23 +22,10 @@ class GeneralMatrix
{
public:
//! Base Constructor
explicit GeneralMatrix(int matType=-1) : m_factored(false) {
if (matType != -1) {
warn_deprecated("GeneralMatrix", "Integer argument to constructor "
"is deprecated and will be removed after Cantera 2.3.");
}
}
GeneralMatrix() : m_factored(false) {}
virtual ~GeneralMatrix() {}
//! Duplicator member function
/*!
* This function will duplicate the matrix given a generic GeneralMatrix
*
* @returns a pointer to the newly created object
*/
virtual GeneralMatrix* duplMyselfAsGeneralMatrix() const = 0;
//! Zero the matrix elements
virtual void zero() = 0;
@ -110,15 +97,6 @@ public:
//! Return the number of rows in the matrix
virtual size_t nRows() const = 0;
//! Return the size and structure of the matrix
/*!
* @param iStruct OUTPUT Pointer to a vector of ints that describe the
* structure of the matrix.
* @returns the number of rows and columns in the matrix.
* @deprecated Unused. To be removed after Cantera 2.3.
*/
virtual size_t nRowsAndStruct(size_t* const iStruct = 0) const = 0;
//! clear the factored flag
virtual void clearFactorFlag() {
m_factored = 0;

13
include/cantera/numerics/IDA_Solver.h
View file

@ -24,19 +24,6 @@
namespace Cantera
{
/**
* Exception thrown when a IDA error is encountered.
* @deprecated Unused. To be removed after Cantera 2.3.
*/
class IDA_Err : public CanteraError
{
public:
explicit IDA_Err(const std::string& msg) : CanteraError("IDA_Solver", msg) {
warn_deprecated("class IDA_Err", "To be removed after Cantera 2.3.");
}
};
class ResidData;
/**

17
include/cantera/numerics/ResidJacEval.h
View file

@ -61,23 +61,6 @@ public:
*/
ResidJacEval(doublereal atol = 1.0e-13);
//! @deprecated To be removed after Cantera 2.3.
ResidJacEval(const ResidJacEval& right);
//! @deprecated To be removed after Cantera 2.3.
ResidJacEval& operator=(const ResidJacEval& right);
//! Duplication routine for objects derived from residJacEval
/*!
* This virtual routine can be used to duplicate objects which inherit from
* ResidJacEval even if the application only has a pointer to ResidJacEval
* to work with.
*
* These routines are basically wrappers around the derived copy
* constructor.
* @deprecated To be removed after Cantera 2.3.
*/
virtual ResidJacEval* duplMyselfAsResidJacEval() const;
//! Return the number of equations in the equation system
virtual int nEquations() const;

423
include/cantera/numerics/RootFind.h
View file

@ -1,423 +0,0 @@
/**
* @file RootFind.h Header file for implicit nonlinear solver of a one
* dimensional function (see \ref numerics and class \link
* Cantera::RootFind RootFind\endlink).
*/
// This file is part of Cantera. See License.txt in the top-level directory or
// at http://www.cantera.org/license.txt for license and copyright information.
#ifndef CT_ROOTFIND_H
#define CT_ROOTFIND_H
/**
* @defgroup solverGroup Solvers for Equation Systems
*/
#include "ResidEval.h"
namespace Cantera
{
//@{
/// @name Constant which determines the return integer from the routine
//! This means that the root solver was a success
#define ROOTFIND_SUCCESS 0
//! This return value means that the root finder resolved a solution in the x
//! coordinate, however, convergence in F was not achieved.
/*!
* A common situation for this to happen is that f(x) is discontinuous about
* f(x) = f_0, where we seek the x where the function is equal to f_0. f(x)
* spans the f_0 while not being equal to f_0 anywhere.
*/
#define ROOTFIND_SUCCESS_XCONVERGENCEONLY 1
//! This means that the root solver failed to achieve convergence
#define ROOTFIND_FAILEDCONVERGENCE -1
//! This means that the input to the root solver was defective
#define ROOTFIND_BADINPUT -2
//! This means that the rootfinder believes the solution is lower than xmin
#define ROOTFIND_SOLNLOWERTHANXMIN -3
//! This means that the rootfinder believes the solution is higher than xmax
#define ROOTFIND_SOLNHIGHERTHANXMAX -4
//@}
//! Root finder for 1D problems
/*!
* @deprecated Unused. To be removed after Cantera 2.3. See
* boost::math::tools::toms748_solve for an alternative.
*
* The root finder solves a single nonlinear equation described below.
*
* \f[
* f(x) = f_0
* \f]
*
* \f$ f(x) \f$ is assumed to be single valued as a function of x.\f$ f(x) \f$
* is not assumed to be continuous nor is its derivative assumed to be well
* formed.
*
* Root finders are significantly different in the sense that do not have to
* rely solely on Newton's method to find the answer to the problem. Instead
* they use a method to bound the solution between high and low values and then
* use a method to refine that bound. The eventual solution to the problem is
* presented as x_best and as a bound, delta_X, on the solution component.
* Because of this, they are far more stable for functions and Jacobians that
* have discontinuities or noise associated with them.
*
* The algorithm is a convolution of a local Secant method with an approach of
* finding a straddle in x. The Jacobian is never required.
*
* There is a general breakdown of the algorithm into stages. The first stage
* seeks to find a straddle of the function. The second stage seeks to reduce
* the bounds in x and f in order to satisfy the specification of the stopping
* criteria. In the last stage the algorithm seeks to find the base value of x
* that satisfies the original equation given what it current knows about the
* function.
*
* Globalization strategy
*
* Specifying the General Changes in x
*
* Supplying Hints with General Function Behavior Flags
*
* Stopping Criteria
*
* Specification of the Stopping Criteria
*
* Additional constraints
*
* Bounds Criteria For the Routine
*
* Example
*
* @code
* // Define a residual. The definition of a residual involves a lot more work than is shown here.
* ResidEval * ec;
* // Instantiate the root finder with the residual to be solved, ec.
* RootFind rf(&ec);
* // Set the relative and absolute tolerances for f and x.
* rf.setTol(1.0E-5, 1.0E-10, 1.0E-5, 1.0E-11);
* // Give a hint about the function's dependence on x. This is needed, for example, if the function has
* // flat regions.
* rf.setFuncIsGenerallyIncreasing(true);
* rf.setDeltaX(0.01);
* // Supply an initial guess for the solution
* double xbest = phiM;
* double oldP = printLvl_;
* // Set the print level for the solver. Zero produces no output. Two produces a summary table of each iteration.
* rf.setPrintLvl(2);
* // Define a minimum and maximum for the independent variable.
* double phimin = 1.3;
* double phimax = 2.2;
* // Define a maximum iteration number
* int itmax = 100;
* // Define the f_0 value, and on return will contain the actual value of f(x) obtained
* double currentObtained;
* // Call the solver
* status = rf.solve(phimin, phimax, 100, currentObtained, &xbest);
* if (status == 0) {
* if (printLvl_ > 1) {
* printf("Electrode::integrateConstantCurrent(): Volts (%g amps) = %g\n", currentObtained, xbest);
* }
* } else {
* if (printLvl_) {
* printf("Electrode::integrateConstantCurrent(): bad status = %d Volts (%g amps) = %g\n",
* status, currentObtained, xbest);
* }
* }
* @endcode
*
* @todo Noise
* @todo General Search to be done when all else fails
*/
class RootFind
{
public:
//! Constructor for the object
/*!
* @param resid Pointer to the residual function to be used to calculate f(x)
*/
RootFind(ResidEval* resid);
//! @deprecated To be removed after Cantera 2.3.
RootFind(const RootFind& r);
~RootFind() {}
//! @deprecated To be removed after Cantera 2.3.
RootFind& operator=(const RootFind& right);
private:
//! Calculate a deltaX from an input value of x
/*!
* This routine ensure that the deltaX will be greater or equal to
* DeltaXNorm_ or 1.0E-14 x
*
* @param x1 input value of x
*/
doublereal delXNonzero(doublereal x1) const;
//! Calculate a deltaX from an input value of x
/*!
* This routine ensure that the deltaX will be greater or equal to
* DeltaXNorm_ or 1.0E-14 x or deltaXConverged_.
*
* @param x1 input value of x
*/
doublereal delXMeaningful(doublereal x1) const;
//! Calculate a controlled, nonzero delta between two numbers
/*!
* The delta is designed to be greater than or equal to delXMeaningful(x)
* defined above with the same sign as the original delta. Therefore if you
* subtract it from either of the two original numbers, you get a different
* number.
*
* @param x2 first number
* @param x1 second number
*/
doublereal deltaXControlled(doublereal x2, doublereal x1) const;
//! Function to decide whether two real numbers are the same or not
/*!
* A comparison is made between the two numbers to decide whether they are
* close to one another. This is defined as being within factor *
* delXMeaningful() of each other.
*
* The basic premise here is that if the two numbers are too close, the
* noise will prevent an accurate calculation of the function and its slope.
*
* @param x1 First number
* @param x2 second number
* @param factor Multiplicative factor to multiple deltaX with
* @returns a boolean indicating whether the two numbers are the same or not.
*/
bool theSame(doublereal x2, doublereal x1, doublereal factor = 1.0) const;
public:
//! Using a line search method, find the root of a 1D function
/*!
* This routine solves the following equation.
*
* \f[
* R(x) = f(x) - f_o = 0
* \f]
*
* @param xmin Minimum value of x to be used.
* @param xmax Maximum value of x to be used
* @param itmax maximum number of iterations. Usually, it can be less than 50.
* @param funcTargetValue Value of \f$ f_o \f$ in the equation. On return,
* it contains the value of the function actually obtained.
* @param xbest Returns the x that satisfies the function On input, xbest
* should contain the best estimate of the solution. An
* attempt to find the solution near xbest is made.
* @return:
* 0 = ROOTFIND_SUCCESS Found function
* -1 = ROOTFIND_FAILEDCONVERGENCE Failed to find the answer
* -2 = ROOTFIND_BADINPUT Bad input was detected
*/
int solve(doublereal xmin, doublereal xmax, int itmax, doublereal& funcTargetValue, doublereal* xbest);
//! Return the function value
/*!
* This routine evaluates the following equation.
*
* \f[
* R(x) = f(x) - f_o = 0
* \f]
*
* @param x Value of the independent variable
*
* @return The routine returns the value of \f$ R(x) \f$
*/
doublereal func(doublereal x);
//! Set the tolerance parameters for the rootfinder
/*!
* These tolerance parameters are used on the function value and the
* independent value to determine convergence
*
* @param rtolf Relative tolerance. The default is 10^-5
* @param atolf absolute tolerance. The default is 10^-11
* @param rtolx Relative tolerance. The default is 10^-5. Default parameter
* is 0.0, in which case rtolx is set equal to rtolf
* @param atolx absolute tolerance. The default is 10^-11. Default
* parameter is 0.0, in which case atolx is set equal to
* atolf
*/
void setTol(doublereal rtolf, doublereal atolf, doublereal rtolx = 0.0, doublereal atolx = 0.0);
//! Set the print level from the rootfinder
/*!
* - 0: No printing of any kind
* - 1: Single print line indicating success or failure of the routine.
* - 2: Summary table printed at the end of the routine, with a convergence
* history
* - 3: Printouts during the iteration are added. Summary table is printed
* out at the end. if writeLogAllowed_ is turned on, a file is written
* out with the convergence history.
*
* @param printLvl integer value
*/
void setPrintLvl(int printLvl);
//! Set the function behavior flag
/*!
* If this is true, the function is generally an increasing function of x.
* In particular, if the algorithm is seeking a higher value of f, it will
* look in the positive x direction.
*
* This type of function is needed because this algorithm must deal with
* regions of f(x) where f is not changing with x.
*
* @param value boolean value
*/
void setFuncIsGenerallyIncreasing(bool value);
//! Set the function behavior flag
/*!
* If this is true, the function is generally a decreasing function of x. In
* particular, if the algorithm is seeking a higher value of f, it will look
* in the negative x direction.
*
* This type of function is needed because this algorithm must deal with
* regions of f(x) where f is not changing with x.
*
* @param value boolean value
*/
void setFuncIsGenerallyDecreasing(bool value);
//! Set the minimum value of deltaX
/*!
* @param deltaXNorm
*/
void setDeltaX(doublereal deltaXNorm);
//! Set the maximum value of deltaX
/*!
* @param deltaX
*/
void setDeltaXMax(doublereal deltaX);
//! Print the iteration history table
void printTable();
public:
//! Pointer to the residual function evaluator
ResidEval* m_residFunc;
//! Target value for the function. We seek the value of f that is equal to
//! this value
doublereal m_funcTargetValue;
//! Absolute tolerance for the value of f
doublereal m_atolf;
//! Absolute tolerance for the value of x
doublereal m_atolx;
//! Relative tolerance for the value of f and x
doublereal m_rtolf;
//! Relative tolerance for the value of x
doublereal m_rtolx;
//! Maximum number of step sizes
doublereal m_maxstep;
protected:
//! Print level. @see setPrintLvl
int printLvl;
public:
//! Boolean to turn on the possibility of writing a log file.
bool writeLogAllowed_;
protected:
//! Delta X norm. This is the nominal value of deltaX that will be used by
//! the program
doublereal DeltaXnorm_;
//! Boolean indicating whether DeltaXnorm_ has been specified by the user or
//! not
int specifiedDeltaXnorm_;
//! Delta X Max.
/*!
* This is the maximum value of deltaX that will be used by the program.
* Sometimes a large change in x causes problems.
*/
doublereal DeltaXMax_;
//! Boolean indicating whether DeltaXMax_ has been specified by the user or
//! not
int specifiedDeltaXMax_;
//! Boolean indicating whether the function is an increasing with x
bool FuncIsGenerallyIncreasing_;
//! Boolean indicating whether the function is decreasing with x
bool FuncIsGenerallyDecreasing_;
//! Value of delta X that is needed for convergence
/*!
* X will be considered as converged if we are within deltaXConverged_ of
* the solution The default is zero.
*/
doublereal deltaXConverged_;
//! Internal variable tracking largest x tried.
doublereal x_maxTried_;
//! Internal variable tracking f(x) of largest x tried.
doublereal fx_maxTried_;
//! Internal variable tracking smallest x tried.
doublereal x_minTried_;
//! Internal variable tracking f(x) of smallest x tried.
doublereal fx_minTried_;
//! Structure containing the iteration history
struct rfTable {
//@{
int its;
int TP_its;
double slope;
double xval;
double fval;
int foundPos;
int foundNeg;
double deltaXConverged;
double deltaFConverged;
double delX;
std::string reasoning;
void clear() {
its = 0;
TP_its = 0;
slope = -1.0E300;
xval = -1.0E300;
fval = -1.0E300;
reasoning = "";
};
rfTable() :
its(-2),
TP_its(0),
slope(-1.0E300),
xval(-1.0E300),
fval(-1.0E300),
foundPos(0),
foundNeg(0),
deltaXConverged(-1.0E300),
deltaFConverged(-1.0E300),
delX(-1.0E300) {
};
//@}
};
//! Vector of iteration histories
std::vector<struct rfTable> rfHistory_;
};
}
#endif

130
include/cantera/numerics/SquareMatrix.h
View file

@ -1,130 +0,0 @@
//! @file SquareMatrix.h Dense, Square (not sparse) matrices.
// This file is part of Cantera. See License.txt in the top-level directory or
// at http://www.cantera.org/license.txt for license and copyright information.
#ifndef CT_SQUAREMATRIX_H
#define CT_SQUAREMATRIX_H
#include "DenseMatrix.h"
#include "GeneralMatrix.h"
namespace Cantera
{
/**
* A class for full (non-sparse) matrices with Fortran-compatible data storage.
* Adds matrix inversion operations to this class from DenseMatrix.
* @deprecated Use class DenseMatrix instead. To be removed after Cantera 2.3.
*/
class SquareMatrix: public DenseMatrix, public GeneralMatrix
{
public:
//! Base Constructor.
SquareMatrix();
//! Constructor.
/*!
* Create an \c n by \c n matrix, and initialize all elements to \c v.
*
* @param n size of the square matrix
* @param v initial value of all matrix components.
*/
SquareMatrix(size_t n, doublereal v = 0.0);
SquareMatrix(const SquareMatrix& right);
SquareMatrix& operator=(const SquareMatrix& right);
int solve(doublereal* b, size_t nrhs=1, size_t ldb=0);
void resize(size_t n, size_t m, doublereal v = 0.0);
//! Zero the matrix
void zero();
virtual void mult(const doublereal* b, doublereal* prod) const;
virtual void mult(const DenseMatrix& b, DenseMatrix& prod) const;
virtual void leftMult(const doublereal* const b, doublereal* const prod) const;
int factor();
virtual int factorQR();
virtual doublereal rcondQR();
virtual doublereal rcond(doublereal a1norm);
virtual doublereal oneNorm() const;
//! Solves the linear problem Ax=b using the QR algorithm returning x in the
//! b spot
/*!
* @param b RHS to be solved.
*/
int solveQR(doublereal* b);
//! set the factored flag
void setFactorFlag();
virtual void useFactorAlgorithm(int fAlgorithm);
//! Returns the factor algorithm used
/*!
* 0 LU decomposition
* 1 QR decomposition
*
* This routine will always return 0
*/
virtual int factorAlgorithm() const;
virtual doublereal* ptrColumn(size_t j);
virtual doublereal& operator()(size_t i, size_t j) {
return Array2D::operator()(i, j);
}
virtual doublereal operator()(size_t i, size_t j) const {
return Array2D::operator()(i, j);
}
virtual size_t nRows() const;
//! Return the size and structure of the matrix
/*!
* This is inherited from GeneralMatrix
*
* @param iStruct OUTPUT Pointer to a vector of ints that describe the
* structure of the matrix. not used
*
* @returns the number of rows and columns in the matrix.
* @deprecated Unused. To be removed after Cantera 2.3.
*/
size_t nRowsAndStruct(size_t* const iStruct = 0) const;
virtual GeneralMatrix* duplMyselfAsGeneralMatrix() const;
virtual vector_fp::iterator begin();
virtual vector_fp::const_iterator begin() const;
virtual doublereal* const* colPts();
virtual size_t checkRows(doublereal& valueSmall) const;
virtual size_t checkColumns(doublereal& valueSmall) const;
//! Work vector for QR algorithm
vector_fp tau;
//! Work vector for QR algorithm
vector_fp work;
//! Integer work vector for QR algorithms
vector_int iwork_;
protected:
//! 1-norm of the matrix. This is determined immediately before every
//! factorization
doublereal a1norm_;
//! Use the QR algorithm to factor and invert the matrix
int useQR_;
};
}
#endif

8
include/cantera/numerics/polyfit.h
View file

@ -32,13 +32,5 @@ namespace Cantera
double polyfit(size_t n, size_t deg, const double* x, const double* y,
const double* w, double* p);
//! Fits a polynomial function to a set of data points
/*!
* @deprecated The ndeg and eps arguments to polyfit are deprecated and unused.
* Use the form of polyfit with signature polyfit(n, deg, x, y, w, p). To be
* removed after Cantera 2.3.
*/
doublereal polyfit(int n, doublereal* x, doublereal* y, doublereal* w,
int maxdeg, int& ndeg, doublereal eps, doublereal* r);
}
#endif

79
include/cantera/oneD/Domain1D.h
View file

@ -177,15 +177,6 @@ public:
m_name[n] = name;
}
//! @deprecated To be removed after Cantera 2.3
void setComponentType(size_t n, int ctype) {
warn_deprecated("Domain1D::setComponentType",
"To be removed after Cantera 2.3.");
if (ctype == 0) {
setAlgebraic(n);
}
}
//! index of component with name \a name.
size_t componentIndex(const std::string& name) const;
@ -288,16 +279,6 @@ public:
*/
void needJacUpdate();
/*!
* Evaluate the steady-state residual at all points, even if in
* transient mode. Used only to print diagnostic output.
* @deprecated To be removed after Cantera 2.3
*/
void evalss(doublereal* x, doublereal* r, integer* mask) {
warn_deprecated("Domain1D::evalss", "To be removed after Cantera 2.3");
eval(npos,x,r,mask,0.0);
}
//! Evaluate the residual function at point j. If j == npos,
//! evaluate the residual function at all points.
/*!
@ -312,45 +293,10 @@ public:
* state.)
*/
virtual void eval(size_t j, doublereal* x, doublereal* r,
integer* mask, doublereal rdt=0.0);
//! @deprecated To be removed after Cantera 2.3. Derived classes should
//! implement eval() instead.
virtual doublereal residual(doublereal* x, size_t n, size_t j) {
warn_deprecated("Domain1D::residual", "To be removed after Cantera 2.3.");
throw CanteraError("Domain1D::residual","residual function must be overloaded in derived class "+id());
integer* mask, doublereal rdt=0.0) {
throw NotImplementedError("Domain1D::eval");
}
//! @deprecated To be removed after Cantera 2.3
int timeDerivativeFlag(size_t n) {
warn_deprecated("Domain1D::timeDerivativeFlag",
"To be removed after Cantera 2.3.");
return m_td[n];
}
//! @deprecated To be removed after Cantera 2.3
void setAlgebraic(size_t n) {
warn_deprecated("Domain1D::setAlgebraic",
"To be removed after Cantera 2.3.");
m_td[n] = 0;
}
//! @deprecated To be removed after Cantera 2.3
virtual void update(doublereal* x) {
warn_deprecated("Domain1D::update", "To be removed after Cantera 2.3.");
}
//! @deprecated To be removed after Cantera 2.3
doublereal time() const {
warn_deprecated("Domain1D::time", "To be removed after Cantera 2.3.");
return m_time;
}
//! @deprecated To be removed after Cantera 2.3
void incrementTime(doublereal dt) {
warn_deprecated("Domain1D::incrementTime",
"To be removed after Cantera 2.3.");
m_time += dt;
}
size_t index(size_t n, size_t j) const {
return m_nv*j + n;
}
@ -468,25 +414,6 @@ public:
}
}
//! Specify descriptive text for this domain.
//! @deprecated To be removed after Cantera 2.3.
void setDesc(const std::string& s) {
warn_deprecated("Domain1D::setDesc", "To be removed after Cantera 2.3.");
m_desc = s;
}
//! @deprecated To be removed after Cantera 2.3.
const std::string& desc() {
warn_deprecated("Domain1D::desc", "To be removed after Cantera 2.3.");
return m_desc;
}
//! @deprecated To be removed after Cantera 2.3.
virtual void getTransientMask(integer* mask) {
warn_deprecated("Domain1D::getTransientMask",
"To be removed after Cantera 2.3.");
}
virtual void showSolution_s(std::ostream& s, const doublereal* x) {}
//! Print the solution.
@ -554,7 +481,6 @@ protected:
size_t m_nv;
size_t m_points;
vector_fp m_slast;
doublereal m_time; //!< @deprecated To be removed after Cantera 2.3.
vector_fp m_max;
vector_fp m_min;
vector_fp m_rtol_ss, m_rtol_ts;
@ -579,7 +505,6 @@ protected:
std::string m_id;
std::string m_desc;
std::unique_ptr<Refiner> m_refiner;
vector_int m_td; //!< @deprecated To be removed after Cantera 2.3.
std::vector<std::string> m_name;
int m_bw;
bool m_force_full_update;

8
include/cantera/oneD/StFlow.h
View file

@ -77,14 +77,6 @@ public:
//! set the transport manager
void setTransport(Transport& trans);
//! set the transport manager
/*!
* @deprecated The withSoret argument is deprecated and unused.
* Use the form of setTransport with signature setTransport(Transport& trans).
* To be removed after Cantera 2.3.
*/
void setTransport(Transport& trans, bool withSoret);
void enableSoret(bool withSoret);
bool withSoret() const {
return m_do_soret;

14
include/cantera/surface.h
View file

@ -1,14 +0,0 @@
/**
* @file surface.h
* @deprecated To be removed after Cantera 2.3.
*/
#ifndef CT_SURFACE_INCL
#define CT_SURFACE_INCL
#pragma message "Deprecated. surface.h will be removed after Cantera 2.3. Include relevant headers directly."
#include "thermo/SurfPhase.h"
#include "kinetics/InterfaceKinetics.h"
#endif

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

@ -38,13 +38,6 @@ namespace Cantera
class Adsorbate : public SpeciesThermoInterpType
{
public:
//! Empty constructor
//! @deprecated Default constructor to be removed after Cantera 2.3.
Adsorbate() {
warn_deprecated("Adsorbate::Adsorbate()",
"Default constructor to be removed after Cantera 2.3.");
}
//! Full Constructor
/*!
* @param tlow output - Minimum temperature
@ -60,11 +53,6 @@ public:
std::copy(coeffs+2, coeffs + 2 + m_freq.size(), m_freq.begin());
}
virtual SpeciesThermoInterpType*
duplMyselfAsSpeciesThermoInterpType() const {
return new Adsorbate(*this);
}
virtual int reportType() const {
return ADSORBATE;
}

11
include/cantera/thermo/ConstCpPoly.h
View file

@ -43,10 +43,6 @@ namespace Cantera
class ConstCpPoly: public SpeciesThermoInterpType
{
public:
//! empty constructor
//! @deprecated To be removed after Cantera 2.3.
ConstCpPoly();
//! Normal constructor
/*!
* @param tlow Minimum temperature
@ -62,9 +58,6 @@ public:
*/
ConstCpPoly(double tlow, double thigh, double pref, const double* coeffs);
virtual SpeciesThermoInterpType*
duplMyselfAsSpeciesThermoInterpType() const;
virtual int reportType() const {
return CONSTANT_CP;
}
@ -88,10 +81,6 @@ public:
doublereal& pref,
doublereal* const coeffs) const;
//! @deprecated To be removed after Cantera 2.3. Use
//! MultiSpeciesThermo::modifySpecies instead.
virtual void modifyParameters(doublereal* coeffs);
virtual doublereal reportHf298(doublereal* const h298 = 0) const;
virtual void modifyOneHf298(const size_t k, const doublereal Hf298New);
virtual void resetHf298();

5
include/cantera/thermo/ConstDensityThermo.h
View file

@ -32,11 +32,6 @@ public:
//! Constructor.
ConstDensityThermo() {}
ConstDensityThermo(const ConstDensityThermo& right);
ConstDensityThermo& operator=(const ConstDensityThermo& right);
virtual ThermoPhase* duplMyselfAsThermoPhase() const;
virtual int eosType() const;
virtual std::string type() const {
return "ConstDensity";
}

4
include/cantera/thermo/DebyeHuckel.h
View file

@ -566,9 +566,6 @@ public:
//! Default Constructor
DebyeHuckel();
DebyeHuckel(const DebyeHuckel&);
DebyeHuckel& operator=(const DebyeHuckel&);
virtual ThermoPhase* duplMyselfAsThermoPhase() const;
virtual ~DebyeHuckel();
//! Full constructor for creating the phase.
@ -588,7 +585,6 @@ public:
//! @name Utilities
//! @{
virtual int eosType() const;
virtual std::string type() const {
return "DebyeHuckel";
}

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

@ -36,15 +36,6 @@ public:
*/
EdgePhase(doublereal n0=1.0);
EdgePhase(const EdgePhase& right);
EdgePhase& operator=(const EdgePhase& right);
virtual ThermoPhase* duplMyselfAsThermoPhase() const;
virtual int eosType() const {
warn_deprecated("EdgePhase::eosType",
"To be removed after Cantera 2.3.");
return cEdge;
}
virtual std::string type() const {
return "Edge";
}

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

@ -86,12 +86,6 @@ namespace Cantera
//! stable state at 298.15 K and 1 bar.
#define ENTROPY298_UNKNOWN -123456789.
//! Function to look up an atomic weight
/*!
* @deprecated Replaced with getElementWeight(). To be removed after Cantera 2.3
*/
double LookupWtElements(const std::string& ename);
//! Get the atomic weight of an element.
/*!
* Get the atomic weight of an element defined in Cantera by its symbol

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

@ -166,7 +166,6 @@ public:
*/
FixedChemPotSSTP(XML_Node& phaseRef, const std::string& id = "");
//! Special constructor for the FixecChemPotSSTP class setting an element
//! chemical potential directly
/*!
@ -179,17 +178,6 @@ public:
*/
FixedChemPotSSTP(const std::string& Ename, doublereal chemPot);
FixedChemPotSSTP(const FixedChemPotSSTP& right);
FixedChemPotSSTP& operator=(const FixedChemPotSSTP& right);
virtual ThermoPhase* duplMyselfAsThermoPhase() const;
/**
* Equation of state flag.
*
* Returns the value cStoichSubstance, defined in mix_defs.h.
* @deprecated To be removed after Cantera 2.3.
*/
virtual int eosType() const;
virtual std::string type() const {
return "FixedChemPot";
}

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

@ -1,29 +0,0 @@
/**
* @file GeneralSpeciesThermo.h
* @deprecated To be removed after Cantera 2.3.
*/
#ifndef CT_GENERALSPECIESTHERMO_H
#define CT_GENERALSPECIESTHERMO_H
#pragma message "Deprecated. GeneralSpeciesThermo.h will be removed after Cantera 2.3. Use MultiSpeciesThermo.h instead."
#include "cantera/base/ct_defs.h"
#include "MultiSpeciesThermo.h"
namespace Cantera
{
//! @deprecated To be removed after Cantera 2.3. Use class MultiSpeciesThermo
//! instead.
class GeneralSpeciesThermo : public MultiSpeciesThermo
{
GeneralSpeciesThermo() {
warn_deprecated("class GeneralSpeciesThermo", "To be removed after"
" Cantera 2.3. Use class MultiSpeciesThermo instead.");
}
};
}
#endif

3
include/cantera/thermo/GibbsExcessVPSSTP.h
View file

@ -89,9 +89,6 @@ public:
GibbsExcessVPSSTP() {}
GibbsExcessVPSSTP(const GibbsExcessVPSSTP& b);
GibbsExcessVPSSTP& operator=(const GibbsExcessVPSSTP& b);
virtual ThermoPhase* duplMyselfAsThermoPhase() const;
//! @}
//! @}

43
include/cantera/thermo/HMWSoln.h
View file

@ -1147,6 +1147,7 @@ class HMWSoln : public MolalityVPSSTP
public:
//! Default Constructor
HMWSoln();
~HMWSoln();
//! Construct and initialize an HMWSoln ThermoPhase object
//! directly from an ASCII input file
@ -1170,51 +1171,9 @@ public:
*/
HMWSoln(XML_Node& phaseRef, const std::string& id = "");
HMWSoln(const HMWSoln& right);
HMWSoln& operator=(const HMWSoln& right);
virtual ~HMWSoln();
virtual ThermoPhase* duplMyselfAsThermoPhase() const;
//! Import, construct, and initialize a HMWSoln 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 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.
* @deprecated Use initThermoFile() instead. To be removed after Cantera 2.3.
*/
void constructPhaseFile(std::string inputFile, std::string id);
//! Import and initialize a HMWSoln 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.
* @deprecated Use importPhase() instead. To be removed after Cantera 2.3.
*/
void constructPhaseXML(XML_Node& phaseNode, std::string id);
//! @name Utilities
//! @{
virtual int eosType() const;
virtual std::string type() const {
return "HMWSoln";
}

15
include/cantera/thermo/IdealGasPhase.h
View file

@ -11,7 +11,6 @@
#ifndef CT_IDEALGASPHASE_H
#define CT_IDEALGASPHASE_H
#include "mix_defs.h"
#include "ThermoPhase.h"
namespace Cantera
@ -310,20 +309,6 @@ public:
*/
IdealGasPhase(XML_Node& phaseRef, const std::string& id = "");
IdealGasPhase(const IdealGasPhase& right);
IdealGasPhase& operator=(const IdealGasPhase& right);
virtual ThermoPhase* duplMyselfAsThermoPhase() const;
//! Equation of state flag.
/*!
* Returns the value cIdealGas, defined in mix_defs.h.
* @deprecated To be removed after Cantera 2.3.
*/
virtual int eosType() const {
warn_deprecated("IdealGasPhase::eosType",
"To be removed after Cantera 2.3.");
return cIdealGas;
}
virtual std::string type() const {
return "IdealGas";
}

4
include/cantera/thermo/IdealMolalSoln.h
View file

@ -87,10 +87,6 @@ public:
/// Constructor
IdealMolalSoln();
IdealMolalSoln(const IdealMolalSoln&);
IdealMolalSoln& operator=(const IdealMolalSoln&);
virtual ThermoPhase* duplMyselfAsThermoPhase() const;
//! Constructor for phase initialization
/*!
* This constructor will initialize a phase, by reading the required

34
include/cantera/thermo/IdealSolidSolnPhase.h
View file

@ -18,16 +18,6 @@
namespace Cantera
{
/*!
* @name CONSTANTS - Models for the Standard State of IdealSolidSolnPhase's
* @deprecated To be removed after Cantera 2.3.
*/
//@{
const int cIdealSolidSolnPhase0 = 5010;
const int cIdealSolidSolnPhase1 = 5011;
const int cIdealSolidSolnPhase2 = 5012;
//@}
/**
* Class IdealSolidSolnPhase represents a condensed phase ideal solution
* compound. The phase and the pure species phases which comprise the standard
@ -91,16 +81,6 @@ public:
*/
IdealSolidSolnPhase(XML_Node& root, const std::string& id="", int formCG=0);
IdealSolidSolnPhase(const IdealSolidSolnPhase&);
IdealSolidSolnPhase& operator=(const IdealSolidSolnPhase&);
virtual ThermoPhase* duplMyselfAsThermoPhase() const;
/**
* Equation of state flag. Returns a value depending upon the value of
* #m_formGC, which is defined at instantiation.
* @deprecated To be removed after Cantera 2.3.
*/
virtual int eosType() const;
virtual std::string type() const {
return "IdealSolidSoln";
}
@ -332,20 +312,6 @@ public:
*/
virtual doublereal standardConcentration(size_t k) const;
/**
* The reference (ie standard) concentration \f$ C^0_k \f$ used to normalize
* the generalized concentration. In many cases, this quantity will be the
* same for all species in a phase. However, for this case, we will return a
* distinct concentration for each species. (clone of the standard
* concentration -> suggest changing the name). This is the inverse of the
* species molar volume.
*
* @deprecated Unused duplicate of standardConcentration. To be removed
* after Cantera 2.3.
* @param k Species index.
*/
virtual doublereal referenceConcentration(int k) const;
//! Get the array of species activity coefficients
/*!
* @param ac output vector of activity coefficients. Length: m_kk

15
include/cantera/thermo/IdealSolnGasVPSS.h
View file

@ -17,16 +17,6 @@
namespace Cantera
{
/*!
* @name CONSTANTS
* Models for the Standard State of an IdealSolnPhase
* @deprecated To be removed after Cantera 2.3.
*/
//@{
const int cIdealSolnGasPhaseG = 6009;
const int cIdealSolnGasPhase0 = 6010;
const int cIdealSolnGasPhase1 = 6011;
const int cIdealSolnGasPhase2 = 6012;
/**
* @ingroup thermoprops
@ -47,15 +37,10 @@ public:
/// Create an object from an XML input file
IdealSolnGasVPSS(const std::string& infile, std::string id="");
IdealSolnGasVPSS(const IdealSolnGasVPSS&);
IdealSolnGasVPSS& operator=(const IdealSolnGasVPSS&);
virtual ThermoPhase* duplMyselfAsThermoPhase() const;
//@}
//! @name Utilities (IdealSolnGasVPSS)
//@{
virtual int eosType() const;
virtual std::string type() const {
return "IdealSolnGas";
}

44
include/cantera/thermo/IonsFromNeutralVPSSTP.h
View file

@ -114,60 +114,16 @@ public:
IonsFromNeutralVPSSTP(XML_Node& phaseRoot, const std::string& id = "",
ThermoPhase* neutralPhase = 0);
IonsFromNeutralVPSSTP(const IonsFromNeutralVPSSTP& b);
IonsFromNeutralVPSSTP& operator=(const IonsFromNeutralVPSSTP& b);
virtual ~IonsFromNeutralVPSSTP();
virtual ThermoPhase* duplMyselfAsThermoPhase() const;
// @}
/// The following methods are used in the process of constructing
/// the phase and setting its parameters from a specification in an
/// input file.
//! Initialization of an IonsFromNeutralVPSSTP phase using an XML file
/*!
* This routine is a precursor to initThermo(XML_Node*) 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.
* @deprecated Use initThermoFile() instead. To be removed after Cantera 2.3.
*/
void constructPhaseFile(std::string inputFile, std::string id);
//! Import and initialize an IonsFromNeutralVPSSTP 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.
* @deprecated Use importPhase() instead. To be removed after Cantera 2.3.
*/
void constructPhaseXML(XML_Node& phaseNode, std::string id);
//! @name Utilities
//! @{
virtual int eosType() const;
virtual std::string type() const {
return "IonsFromNeutral";
}
//! @}
//! @name Molar Thermodynamic Properties
//! @{

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

@ -11,7 +11,6 @@
#ifndef CT_LATTICE_H
#define CT_LATTICE_H
#include "mix_defs.h"
#include "ThermoPhase.h"
namespace Cantera
@ -235,10 +234,6 @@ public:
//! Base Empty constructor
LatticePhase();
LatticePhase(const LatticePhase& right);
LatticePhase& operator=(const LatticePhase& right);
virtual ThermoPhase* duplMyselfAsThermoPhase() const;
//! Full constructor for a lattice phase
/*!
* @param inputFile String name of the input file
@ -253,13 +248,6 @@ public:
*/
LatticePhase(XML_Node& phaseRef, const std::string& id = "");
//! Equation of state flag. Returns the value cLattice
//! @deprecated To be removed after Cantera 2.3.
virtual int eosType() const {
warn_deprecated("LatticePhase::eosType",
"To be removed after Cantera 2.3.");
return cLattice;
}
virtual std::string type() const {
return "Lattice";
}

14
include/cantera/thermo/LatticeSolidPhase.h
View file

@ -107,22 +107,8 @@ class LatticeSolidPhase : public ThermoPhase
public:
//! Base empty constructor
LatticeSolidPhase();
LatticeSolidPhase(const LatticeSolidPhase& right);
LatticeSolidPhase& operator=(const LatticeSolidPhase& right);
virtual ~LatticeSolidPhase();
virtual ThermoPhase* duplMyselfAsThermoPhase() const;
//! Equation of state type flag.
/*!
* Returns cLatticeSolid, listed in mix_defs.h.
* @deprecated To be removed after Cantera 2.3.
*/
virtual int eosType() const {
warn_deprecated("LatticeSolidPhase::eosType",
"To be removed after Cantera 2.3.");
return cLatticeSolid;
}
virtual std::string type() const {
return "LatticeSolid";
}

4
include/cantera/thermo/MargulesVPSSTP.h
View file

@ -241,10 +241,6 @@ public:
*/
MargulesVPSSTP(XML_Node& phaseRef, const std::string& id = "");
MargulesVPSSTP(const MargulesVPSSTP& b);
MargulesVPSSTP& operator=(const MargulesVPSSTP& b);
virtual ThermoPhase* duplMyselfAsThermoPhase() const;
virtual std::string type() const {
return "Margules";
}

4
include/cantera/thermo/MaskellSolidSolnPhase.h
View file

@ -29,10 +29,6 @@ class MaskellSolidSolnPhase : public VPStandardStateTP
public:
MaskellSolidSolnPhase();
MaskellSolidSolnPhase(const MaskellSolidSolnPhase&);
MaskellSolidSolnPhase& operator=(const MaskellSolidSolnPhase&);
virtual ThermoPhase* duplMyselfAsThermoPhase() const;
virtual std::string type() const {
return "MaskellSolidsoln";
}

23
include/cantera/thermo/MetalPhase.h
View file

@ -8,7 +8,6 @@
#ifndef CT_METALPHASE_H
#define CT_METALPHASE_H
#include "mix_defs.h"
#include "ThermoPhase.h"
#include "cantera/base/ctml.h"
@ -25,30 +24,8 @@ class MetalPhase : public ThermoPhase
public:
MetalPhase() {}
MetalPhase(const MetalPhase& right) {
*this = right;
}
MetalPhase& operator=(const MetalPhase& right) {
if (&right != this) {
ThermoPhase::operator=(right);
m_press = right.m_press;
}
return *this;
}
virtual ThermoPhase* duplMyselfAsThermoPhase() const {
MetalPhase* idg = new MetalPhase(*this);
return (ThermoPhase*) idg;
}
// Overloaded methods of class ThermoPhase
virtual int eosType() const {
warn_deprecated("MetalPhase::eosType",
"To be removed after Cantera 2.3.");
return cMetal;
}
virtual std::string type() const {
return "Metal";
}

15
include/cantera/thermo/MetalSHEelectrons.h
View file

@ -203,21 +203,6 @@ public:
*/
MetalSHEelectrons(XML_Node& phaseRef, const std::string& id = "");
MetalSHEelectrons(const MetalSHEelectrons& right);
MetalSHEelectrons& operator=(const MetalSHEelectrons& right);
virtual ThermoPhase* duplMyselfAsThermoPhase() const;
/**
* Equation of state flag.
*
* Returns the value cMetalSHEelectrons, defined in mix_defs.h.
* @deprecated To be removed after Cantera 2.3.
*/
virtual int eosType() const;
virtual std::string type() const {
return "MetalSHEelectrons";
}
//! @name Mechanical Equation of State
//! @{

11
include/cantera/thermo/MineralEQ3.h
View file

@ -115,17 +115,6 @@ public:
*/
MineralEQ3(XML_Node& phaseRef, const std::string& id = "");
MineralEQ3(const MineralEQ3& right);
MineralEQ3& operator=(const MineralEQ3& right);
virtual ThermoPhase* duplMyselfAsThermoPhase() const;
/**
* Equation of state flag.
*
* Returns the value cStoichSubstance, defined in mix_defs.h.
* @deprecated To be removed after Cantera 2.3.
*/
virtual int eosType() const;
virtual std::string type() const {
return "MineralEQ3";
}

4
include/cantera/thermo/MixedSolventElectrolyte.h
View file

@ -240,10 +240,6 @@ public:
*/
MixedSolventElectrolyte(XML_Node& phaseRef, const std::string& id = "");
MixedSolventElectrolyte(const MixedSolventElectrolyte& b);
MixedSolventElectrolyte& operator=(const MixedSolventElectrolyte& b);
virtual ThermoPhase* duplMyselfAsThermoPhase() const;
virtual std::string type() const {
return "MixedSolventElectrolyte";
}

4
include/cantera/thermo/MixtureFugacityTP.h
View file

@ -80,10 +80,6 @@ public:
//! Constructor.
MixtureFugacityTP();
MixtureFugacityTP(const MixtureFugacityTP& b);
MixtureFugacityTP& operator=(const MixtureFugacityTP& b);
virtual ThermoPhase* duplMyselfAsThermoPhase() const;
//! @}
//! @name Utilities
//! @{

4
include/cantera/thermo/MolalityVPSSTP.h
View file

@ -191,10 +191,6 @@ public:
*/
MolalityVPSSTP();
MolalityVPSSTP(const MolalityVPSSTP& b);
MolalityVPSSTP& operator=(const MolalityVPSSTP& b);
virtual ThermoPhase* duplMyselfAsThermoPhase() const;
//! @name Utilities
//! @{

4
include/cantera/thermo/MolarityIonicVPSSTP.h
View file

@ -76,10 +76,6 @@ public:
*/
MolarityIonicVPSSTP(XML_Node& phaseRef, const std::string& id = "");
MolarityIonicVPSSTP(const MolarityIonicVPSSTP& b);
MolarityIonicVPSSTP& operator=(const MolarityIonicVPSSTP& b);
virtual ThermoPhase* duplMyselfAsThermoPhase() const;
virtual std::string type() const {
return "MolarityIonic";
}

11
include/cantera/thermo/Mu0Poly.h
View file

@ -73,10 +73,6 @@ class XML_Node;
class Mu0Poly: public SpeciesThermoInterpType
{
public:
//! Constructor
//! @deprecated Default constructor to be removed after Cantera 2.3.
Mu0Poly();
//! Normal constructor
/*!
* In the constructor, we calculate and store the piecewise linear
@ -102,9 +98,6 @@ public:
*/
Mu0Poly(double tlow, double thigh, double pref, const double* coeffs);
virtual SpeciesThermoInterpType*
duplMyselfAsSpeciesThermoInterpType() const;
virtual int reportType() const {
return MU0_INTERP;
}
@ -128,10 +121,6 @@ public:
doublereal& pref,
doublereal* const coeffs) const;
//! @deprecated To be removed after Cantera 2.3. Use
//! MultiSpeciesThermo::modifySpecies instead.
virtual void modifyParameters(doublereal* coeffs);
protected:
//! Number of intervals in the interpolating linear approximation. Number
//! of points is one more than the number of intervals.

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

@ -49,21 +49,11 @@ public:
//! Constructor
MultiSpeciesThermo();
//! @deprecated To be removed after Cantera 2.3.
MultiSpeciesThermo(const MultiSpeciesThermo& b);
//! @deprecated To be removed after Cantera 2.3.
MultiSpeciesThermo& operator=(const MultiSpeciesThermo& b);
// MultiSpeciesThermo objects are not copyable or assignable
MultiSpeciesThermo(const MultiSpeciesThermo& b) = delete;
MultiSpeciesThermo& operator=(const MultiSpeciesThermo& b) = delete;
virtual ~MultiSpeciesThermo() {}
//! Duplication routine for objects derived from MultiSpeciesThermo
/*!
* This function can be used to duplicate objects derived from
* MultiSpeciesThermo even if the application only has a pointer to
* MultiSpeciesThermo to work with.
* @deprecated To be removed after Cantera 2.3.
*/
virtual MultiSpeciesThermo* duplMyselfAsSpeciesThermo() const;
//! Install a new species thermodynamic property parameterization for one
//! species.
/*!

11
include/cantera/thermo/Nasa9Poly1.h
View file

@ -61,10 +61,6 @@ namespace Cantera
class Nasa9Poly1 : public SpeciesThermoInterpType
{
public:
//! Empty constructor
//! @deprecated Default constructor to be removed after Cantera 2.3.
Nasa9Poly1();
//! Normal constructor
/*!
* @param tlow Minimum temperature
@ -75,9 +71,6 @@ public:
*/
Nasa9Poly1(double tlow, double thigh, double pref, const double* coeffs);
virtual SpeciesThermoInterpType*
duplMyselfAsSpeciesThermoInterpType() const;
virtual int reportType() const;
virtual size_t temperaturePolySize() const { return 7; }
@ -125,10 +118,6 @@ public:
doublereal& pref,
doublereal* const coeffs) const;
//! @deprecated To be removed after Cantera 2.3. Use
//! MultiSpeciesThermo::modifySpecies instead.
virtual void modifyParameters(doublereal* coeffs);
protected:
//! array of polynomial coefficients
vector_fp m_coeff;

13
include/cantera/thermo/Nasa9PolyMultiTempRegion.h
View file

@ -36,10 +36,6 @@ namespace Cantera
class Nasa9PolyMultiTempRegion : public SpeciesThermoInterpType
{
public:
//! Empty constructor
//! @deprecated Default constructor to be removed after Cantera 2.3.
Nasa9PolyMultiTempRegion();
//! Constructor used in templated instantiations
/*!
* @param regionPts Vector of pointers to Nasa9Poly1 objects. These objects
@ -53,13 +49,8 @@ public:
*/
Nasa9PolyMultiTempRegion(std::vector<Nasa9Poly1*> &regionPts);
Nasa9PolyMultiTempRegion(const Nasa9PolyMultiTempRegion& b);
Nasa9PolyMultiTempRegion& operator=(const Nasa9PolyMultiTempRegion& b);
virtual ~Nasa9PolyMultiTempRegion();
virtual SpeciesThermoInterpType*
duplMyselfAsSpeciesThermoInterpType() const;
virtual int reportType() const;
virtual size_t temperaturePolySize() const { return 7; }
@ -98,10 +89,6 @@ public:
doublereal& pref,
doublereal* const coeffs) const;
//! @deprecated To be removed after Cantera 2.3. Use
//! MultiSpeciesThermo::modifySpecies instead.
virtual void modifyParameters(doublereal* coeffs);
protected:
//! Lower boundaries of each temperature regions
vector_fp m_lowerTempBounds;

21
include/cantera/thermo/NasaPoly1.h
View file

@ -45,14 +45,6 @@ namespace Cantera
class NasaPoly1 : public SpeciesThermoInterpType
{
public:
//! Empty constructor
//! @deprecated Default constructor to be removed after Cantera 2.3.
NasaPoly1()
: m_coeff(7, 0.0) {
warn_deprecated("NasaPoly1::NasaPoly1()",
"Default constructor to be removed after Cantera 2.3.");
}
//! Normal constructor
/*!
* @param tlow Minimum temperature
@ -68,11 +60,6 @@ public:
m_coeff5_orig = m_coeff[5];
}
virtual SpeciesThermoInterpType*
duplMyselfAsSpeciesThermoInterpType() const {
return new NasaPoly1(*this);
}
virtual int reportType() const {
return NASA1;
}
@ -140,14 +127,6 @@ public:
std::copy(m_coeff.begin(), m_coeff.end(), coeffs);
}
//! @deprecated To be removed after Cantera 2.3. Use
//! MultiSpeciesThermo::modifySpecies instead.
virtual void modifyParameters(doublereal* coeffs) {
warn_deprecated("NasaPoly1::modifyParameters", "To be removed after "
"Cantera 2.3. Use MultiSpeciesThermo::modifySpecies instead.");
std::copy(coeffs, coeffs+7, m_coeff.begin());
}
virtual doublereal reportHf298(doublereal* const h298 = 0) const {
double tt[6];
double temp = 298.15;

15
include/cantera/thermo/NasaPoly2.h
View file

@ -48,15 +48,6 @@ namespace Cantera
class NasaPoly2 : public SpeciesThermoInterpType
{
public:
//! Empty constructor
//! @deprecated Default constructor to be removed after Cantera 2.3.
NasaPoly2()
: m_midT(0.0),
m_coeff(15, 0.0) {
warn_deprecated("NasaPoly2::NasaPoly2()",
"Default constructor to be removed after Cantera 2.3.");
}
//! Full Constructor
/*!
* @param tlow output - Minimum temperature
@ -76,12 +67,6 @@ public:
m_coeff(coeffs, coeffs + 15) {
}
virtual SpeciesThermoInterpType*
duplMyselfAsSpeciesThermoInterpType() const {
NasaPoly2* np = new NasaPoly2(*this);
return (SpeciesThermoInterpType*) np;
}
virtual int reportType() const {
return NASA2;
}

51
include/cantera/thermo/PDSS.h
View file

@ -11,7 +11,6 @@
#ifndef CT_PDSS_H
#define CT_PDSS_H
#include "cantera/base/ct_defs.h"
#include "mix_defs.h"
namespace Cantera
{
@ -192,36 +191,15 @@ public:
*/
PDSS(VPStandardStateTP* tp, size_t spindex);
//! @deprecated Copy constructor to be removed after Cantera 2.3 for all
//! classes derived from PDSS.
PDSS(const PDSS& b);
//! @deprecated Assignment operator to be removed after Cantera 2.3 for all
//! classes derived from PDSS.
PDSS& operator=(const PDSS& b);
// PDSS objects are not copyable or assignable
PDSS(const PDSS& b) = delete;
PDSS& operator=(const PDSS& b) = delete;
virtual ~PDSS() {}
//! Duplication routine for objects which inherit from PDSS
/*!
* This function can be used to duplicate objects derived from PDSS even
* if the application only has a pointer to PDSS to work with.
*
* @return A pointer to the base PDSS object type
* @deprecated To be removed after Cantera 2.3 for all classes derived from
* PDSS.
*/
virtual PDSS* duplMyselfAsPDSS() const;
//! @}
//! @name Utilities
//! @{
//! Returns the type of the standard state parameterization
/*!
* @return The integer # of the parameterization
* @deprecated To be removed after Cantera 2.3.
*/
PDSS_enumType reportPDSSType() const;
//! @}
//! @name Molar Thermodynamic Properties of the Species Standard State in
//! the Solution
@ -495,7 +473,7 @@ public:
//! all of the parameters for the species, index.
/*!
* @param kindex Species index
* @param type Integer type of the standard type
* @param type Integer type of the standard type (unused)
* @param c Vector of coefficients used to set the
* parameters for the standard state.
* @param minTemp output - Minimum temperature
@ -513,30 +491,9 @@ private:
*/
void initPtrs();
public:
//! Initialize or Reinitialize all shallow pointers in the object
/*!
* This command is called to reinitialize all shallow pointers in the
* object. It's needed for the duplicator capability
*
* @param vptp_ptr Pointer to the Variable pressure ThermoPhase object
* @param vpssmgr_ptr Pointer to the variable pressure standard state
* calculator for this phase
* @param spthermo_ptr Pointer to the optional MultiSpeciesThermo object
* that will handle the calculation of the reference
* state thermodynamic coefficients.
* @deprecated To be removed after Cantera 2.3 for all classes derived from
* PDSS.
*/
virtual void initAllPtrs(VPStandardStateTP* vptp_ptr, VPSSMgr* vpssmgr_ptr,
MultiSpeciesThermo* spthermo_ptr);
//@}
protected:
//! Enumerated type describing the type of the PDSS object
//! @deprecated To be removed after Cantera 2.3.
PDSS_enumType m_pdssType;
//! Current temperature used by the PDSS object
mutable doublereal m_temp;

36
include/cantera/thermo/PDSS_ConstVol.h
View file

@ -32,22 +32,6 @@ public:
*/
PDSS_ConstVol(VPStandardStateTP* tp, size_t spindex);
//! Constructor that initializes the object by examining the input file
//! of the ThermoPhase object
/*!
* This function calls the constructPDSSFile member function.
*
* @param tp Pointer to the ThermoPhase object pertaining to the phase
* @param spindex Species index of the species in the phase
* @param inputFile String name of the input file
* @param id String name of the phase in the input file. The default
* is the empty string, in which case the first phase in
* the file is used.
* @deprecated To be removed after Cantera 2.3.
*/
PDSS_ConstVol(VPStandardStateTP* tp, size_t spindex,
const std::string& inputFile, const std::string& id = "");
//! Constructor that initializes the object by examining the input file
//! of the ThermoPhase object
/*!
@ -63,10 +47,6 @@ public:
PDSS_ConstVol(VPStandardStateTP* vptp_ptr, size_t spindex, const XML_Node& speciesNode,
const XML_Node& phaseRef, bool spInstalled);
PDSS_ConstVol(const PDSS_ConstVol& b);
PDSS_ConstVol& operator=(const PDSS_ConstVol& b);
virtual PDSS* duplMyselfAsPDSS() const;
//! @}
//! @name Molar Thermodynamic Properties of the Species Standard State in
//! the Solution
@ -113,22 +93,6 @@ public:
virtual void initThermo();
//! Initialization of a PDSS object using an input XML file.
/*!
* This routine is a precursor to constructPDSSXML(XML_Node*) routine, which
* does most of the work.
*
* @param vptp_ptr Pointer to the Variable pressure ThermoPhase object
* @param spindex Species index within the phase
* @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.
* @deprecated To be removed after Cantera 2.3.
*/
void constructPDSSFile(VPStandardStateTP* vptp_ptr, size_t spindex,
const std::string& inputFile, const std::string& id);
//! Initialization of a PDSS object using an XML tree
/*!
* This routine is a driver for the initialization of the object.

38
include/cantera/thermo/PDSS_HKFT.h
View file

@ -40,22 +40,6 @@ public:
*/
PDSS_HKFT(VPStandardStateTP* tp, size_t spindex);
//! Constructor that initializes the object by examining the input file
//! of the ThermoPhase object
/*!
* This function calls the constructPDSSFile member function.
*
* @param vptp_ptr Pointer to the ThermoPhase object pertaining to the phase
* @param spindex Species index of the species in the phase
* @param inputFile String name of the input file
* @param id String name of the phase in the input file. The default
* is the empty string, in which case the first phase in the
* file is used.
* @deprecated To be removed after Cantera 2.3.
*/
PDSS_HKFT(VPStandardStateTP* vptp_ptr, size_t spindex,
const std::string& inputFile, const std::string& id = "");
//! Constructor that initializes the object by examining the input file
//! of the ThermoPhase object
/*!
@ -71,10 +55,7 @@ public:
PDSS_HKFT(VPStandardStateTP* vptp_ptr, size_t spindex, const XML_Node& speciesNode,
const XML_Node& phaseRef, bool spInstalled);
PDSS_HKFT(const PDSS_HKFT& b);
PDSS_HKFT& operator=(const PDSS_HKFT& b);
virtual ~PDSS_HKFT();
virtual PDSS* duplMyselfAsPDSS() const;
//! @}
//! @name Molar Thermodynamic Properties of the Solution
@ -128,22 +109,6 @@ public:
virtual void initThermo();
//! Initialization of a PDSS object using an input XML file.
/*!
* This routine is a precursor to constructPDSSXML(XML_Node*)
* routine, which does most of the work.
*
* @param vptp_ptr Pointer to the Variable pressure ThermoPhase object
* @param spindex Species index within the phase
* @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.
* @deprecated To be removed after Cantera 2.3.
*/
void constructPDSSFile(VPStandardStateTP* vptp_ptr, size_t spindex,
const std::string& inputFile, const std::string& id);
//! Initialization of a PDSS object using an XML tree
/*!
* This routine is a driver for the initialization of the object.
@ -165,9 +130,6 @@ public:
const XML_Node& speciesNode,
const XML_Node& phaseNode, bool spInstalled);
virtual void initAllPtrs(VPStandardStateTP* vptp_ptr, VPSSMgr* vpssmgr_ptr,
MultiSpeciesThermo* spthermo_ptr);
//! This utility function reports back the type of parameterization and
//! all of the parameters for the species, index.
/*!

36
include/cantera/thermo/PDSS_IdealGas.h
View file

@ -34,22 +34,6 @@ public:
*/
PDSS_IdealGas(VPStandardStateTP* tp, int spindex);
//! Constructor that initializes the object by examining the input file
//! of the ThermoPhase object
/*!
* This function calls the constructPDSSFile member function.
*
* @param tp Pointer to the ThermoPhase object pertaining to the phase
* @param spindex Species index of the species in the phase
* @param inputFile String name of the input file
* @param id String name of the phase in the input file. The default
* is the empty string, in which case the first phase in
* the file is used.
* @deprecated To be removed after Cantera 2.3.
*/
PDSS_IdealGas(VPStandardStateTP* tp, int spindex,
const std::string& inputFile, const std::string& id = "");
//! Constructor that initializes the object by examining the input file
//! of the ThermoPhase object
/*!
@ -65,10 +49,6 @@ public:
PDSS_IdealGas(VPStandardStateTP* vptp_ptr, size_t spindex, const XML_Node& speciesNode,
const XML_Node& phaseRef, bool spInstalled);
PDSS_IdealGas(const PDSS_IdealGas& b);
PDSS_IdealGas& operator=(const PDSS_IdealGas& b);
virtual PDSS* duplMyselfAsPDSS() const;
//! @}
//! @name Molar Thermodynamic Properties of the Species Standard State in the Solution
//! @{
@ -109,22 +89,6 @@ public:
//! @name Initialization of the Object
//! @{
//! Initialization of a PDSS object using an input XML file.
/*!
* This routine is a precursor to constructPDSSXML(XML_Node*)
* routine, which does most of the work.
*
* @param vptp_ptr Pointer to the Variable pressure ThermoPhase object
* @param spindex Species index within the phase
* @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.
* @deprecated To be removed after Cantera 2.3.
*/
void constructPDSSFile(VPStandardStateTP* vptp_ptr, size_t spindex,
const std::string& inputFile, const std::string& id);
//!Initialization of a PDSS object using an XML tree
/*!
* This routine is a driver for the initialization of the object.

38
include/cantera/thermo/PDSS_IonsFromNeutral.h
View file

@ -45,22 +45,6 @@ public:
*/
PDSS_IonsFromNeutral(VPStandardStateTP* tp, size_t spindex);
//! Constructor that initializes the object by examining the input file
//! of the ThermoPhase object
/*!
* This function calls the constructPDSSFile member function.
*
* @param tp Pointer to the ThermoPhase object pertaining to the phase
* @param spindex Species index of the species in the phase
* @param inputFile String name of the input file
* @param id String name of the phase in the input file. The default
* is the empty string, in which case the first phase in the
* file is used.
* @deprecated To be removed after Cantera 2.3.
*/
PDSS_IonsFromNeutral(VPStandardStateTP* tp, size_t spindex,
const std::string& inputFile, const std::string& id = "");
//! Constructor that initializes the object by examining the input file
//! of the ThermoPhase object
/*!
@ -76,12 +60,6 @@ public:
PDSS_IonsFromNeutral(VPStandardStateTP* vptp_ptr, size_t spindex, const XML_Node& speciesNode,
const XML_Node& phaseRef, bool spInstalled);
PDSS_IonsFromNeutral(const PDSS_IonsFromNeutral& b);
PDSS_IonsFromNeutral& operator=(const PDSS_IonsFromNeutral& b);
virtual PDSS* duplMyselfAsPDSS() const;
virtual void initAllPtrs(VPStandardStateTP* vptp_ptr, VPSSMgr* vpssmgr_ptr,
MultiSpeciesThermo* spthermo_ptr);
//! @}
//! @name Molar Thermodynamic Properties of the Species Standard State in the Solution
//! @{
@ -133,22 +111,6 @@ public:
//! @name Initialization of the Object
//! @{
//! Initialization of a PDSS object using an input XML file.
/*!
* This routine is a precursor to constructPDSSXML(XML_Node*)
* routine, which does most of the work.
*
* @param vptp_ptr Pointer to the Variable pressure ThermoPhase object
* @param spindex Species index within the phase
* @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.
* @deprecated To be removed after Cantera 2.3.
*/
void constructPDSSFile(VPStandardStateTP* vptp_ptr, size_t spindex,
const std::string& inputFile, const std::string& id);
//! Initialization of a PDSS object using an XML tree
/*!
* This routine is a driver for the initialization of the object.

36
include/cantera/thermo/PDSS_SSVol.h
View file

@ -173,22 +173,6 @@ public:
*/
PDSS_SSVol(VPStandardStateTP* tp, size_t spindex);
//! Constructor that initializes the object by examining the input file
//! of the ThermoPhase object
/*!
* This function calls the constructPDSSFile member function.
*
* @param tp Pointer to the ThermoPhase object pertaining to the phase
* @param spindex Species index of the species in the phase
* @param inputFile String name of the input file
* @param id String name of the phase in the input file. The default
* is the empty string, in which case the first phase in the
* file is used.
* @deprecated To be removed after Cantera 2.3.
*/
PDSS_SSVol(VPStandardStateTP* tp, size_t spindex,
const std::string& inputFile, const std::string& id = "");
//! Constructor that initializes the object by examining the input file
//! of the ThermoPhase object
/*!
@ -204,10 +188,6 @@ public:
PDSS_SSVol(VPStandardStateTP* vptp_ptr, size_t spindex, const XML_Node& speciesNode,
const XML_Node& phaseRef, bool spInstalled);
PDSS_SSVol(const PDSS_SSVol& b);
PDSS_SSVol& operator=(const PDSS_SSVol& b);
virtual PDSS* duplMyselfAsPDSS() const;
//! @}
//! @name Molar Thermodynamic Properties of the Species Standard State in the Solution
//! @{
@ -258,22 +238,6 @@ private:
virtual void initThermo();
//! Initialization of a PDSS object using an input XML file.
/*!
* This routine is a precursor to constructPDSSXML(XML_Node*)
* routine, which does most of the work.
*
* @param vptp_ptr Pointer to the Variable pressure ThermoPhase object
* @param spindex Species index within the phase
* @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.
* @deprecated To be removed after Cantera 2.3.
*/
void constructPDSSFile(VPStandardStateTP* vptp_ptr, size_t spindex,
const std::string& inputFile, const std::string& id);
//! Initialization of a PDSS object using an XML tree
/*!
* This routine is a driver for the initialization of the object.

37
include/cantera/thermo/PDSS_Water.h
View file

@ -68,22 +68,6 @@ public:
*/
PDSS_Water(VPStandardStateTP* tp, int spindex);
//! Constructor that initializes the object by examining the input file
//! of the variable pressure ThermoPhase object
/*!
* This function calls the constructPDSSFile member function.
*
* @param tp Pointer to the variable pressure ThermoPhase object pertaining to the phase
* @param spindex Species index of the species in the phase
* @param inputFile String name of the input file
* @param id String name of the phase in the input file. The default
* is the empty string, in which case the first phase in the
* file is used.
* @deprecated To be removed after Cantera 2.3.
*/
PDSS_Water(VPStandardStateTP* tp, int spindex,
const std::string& inputFile, const std::string& id = "");
//! Constructor that initializes the object by examining the input file
//! of the variable pressure ThermoPhase object
/*!
@ -98,10 +82,6 @@ public:
PDSS_Water(VPStandardStateTP* tp, int spindex, const XML_Node& speciesNode,
const XML_Node& phaseRef, bool spInstalled);
PDSS_Water(const PDSS_Water& b);
PDSS_Water& operator=(const PDSS_Water& b);
virtual PDSS* duplMyselfAsPDSS() const;
//! @}
//! @name Molar Thermodynamic Properties of the Species Standard State in the Solution
//! @{
@ -206,23 +186,6 @@ public:
//! Internal routine that initializes the underlying water model
void constructSet();
//! Initialization of a PDSS object using an
//! input XML file.
/*!
* This routine is a precursor to constructPDSSXML(XML_Node*)
* routine, which does most of the work.
*
* @param vptp_ptr Pointer to the Variable pressure ThermoPhase object
* @param spindex Species index within the phase
* @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.
* @deprecated To be removed after Cantera 2.3.
*/
void constructPDSSFile(VPStandardStateTP* vptp_ptr, int spindex,
const std::string& inputFile, const std::string& id);
//!Initialization of a PDSS object using an XML tree
/*!
* This routine is a driver for the initialization of the

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

@ -99,8 +99,10 @@ public:
Phase(); //!< Default constructor.
virtual ~Phase();
Phase(const Phase& right);
Phase& operator=(const Phase& right);
// Phase objects are not copyable or assignable
Phase(const Phase&) = delete;
Phase& operator=(const Phase&) = delete;
//! Returns a const reference to the XML_Node that describes the phase.
/*!

5
include/cantera/thermo/PhaseCombo_Interaction.h
View file

@ -332,14 +332,9 @@ public:
*/
PhaseCombo_Interaction(XML_Node& phaseRef, const std::string& id = "");
PhaseCombo_Interaction(const PhaseCombo_Interaction& b);
PhaseCombo_Interaction& operator=(const PhaseCombo_Interaction& b);
virtual ThermoPhase* duplMyselfAsThermoPhase() const;
//! @name Utilities
//! @{
virtual int eosType() const;
virtual std::string type() const {
return "PhaseCombo_Interaction";
}

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

@ -15,7 +15,6 @@
#define CT_EOS_TPX_H
#include "ThermoPhase.h"
#include "mix_defs.h"
#include "cantera/tpx/Sub.h"
namespace Cantera
@ -34,17 +33,6 @@ public:
//! Empty Base Constructor
PureFluidPhase();
PureFluidPhase(const PureFluidPhase& right);
PureFluidPhase& operator=(const PureFluidPhase& right);
virtual ThermoPhase* duplMyselfAsThermoPhase() const;
//! Equation of state type
//! @deprecated To be removed after Cantera 2.3.
virtual int eosType() const {
warn_deprecated("PureFluidPhase::eosType",
"To be removed after Cantera 2.3.");
return cPureFluid;
}
virtual std::string type() const {
return "PureFluid";
}

15
include/cantera/thermo/RedlichKisterVPSSTP.h
View file

@ -241,10 +241,6 @@ public:
*/
RedlichKisterVPSSTP(XML_Node& phaseRef, const std::string& id = "");
RedlichKisterVPSSTP(const RedlichKisterVPSSTP& b);
RedlichKisterVPSSTP& operator=(const RedlichKisterVPSSTP& b);
virtual ThermoPhase* duplMyselfAsThermoPhase() const;
virtual std::string type() const {
return "RedlichKister";
}
@ -433,17 +429,6 @@ private:
*/
void s_update_dlnActCoeff_dlnX_diag() const;
public:
//! Utility routine that calculates a literature expression
/*!
* @param VintOut Output contribution to the voltage corresponding to
* nonideal term
* @param voltsOut Output contribution to the voltage corresponding to
* nonideal term and mf term
* @deprecated Probably broken. To be removed after Cantera 2.3.
*/
void Vint(double& VintOut, double& voltsOut);
protected:
//! number of binary interaction expressions
size_t numBinaryInteractions_;

5
include/cantera/thermo/RedlichKwongMFTP.h
View file

@ -52,11 +52,6 @@ public:
*/
RedlichKwongMFTP(XML_Node& phaseRef, const std::string& id = "");
RedlichKwongMFTP(const RedlichKwongMFTP& right);
RedlichKwongMFTP& operator=(const RedlichKwongMFTP& right);
virtual ThermoPhase* duplMyselfAsThermoPhase() const;
virtual int eosType() const;
virtual std::string type() const {
return "RedlichKwong";
}

145
include/cantera/thermo/SemiconductorPhase.h
View file

@ -1,145 +0,0 @@
/**
* @file SemiconductorPhase.h
*/
// This file is part of Cantera. See License.txt in the top-level directory or
// at http://www.cantera.org/license.txt for license and copyright information.
#ifndef CT_SEMICONDPHASE_H
#define CT_SEMICONDPHASE_H
#include "mix_defs.h"
#include "ThermoPhase.h"
#include "cantera/base/ctml.h"
namespace Cantera
{
const int cElectron = 0;
const int cHole = 1;
/**
* @ingroup thermoprops
*
* Class SemiconductorPhase represents electrons and holes in a semiconductor.
* @deprecated Broken and unused. To be removed after Cantera 2.3.
*
*/
class SemiconductorPhase : public ThermoPhase
{
public:
SemiconductorPhase() {
warn_deprecated("class SemiconductorPhase",
"To be removed after Cantera 2.3.");
}
SemiconductorPhase(std::string infile, std::string id="");
SemiconductorPhase(const SemiconductorPhase& right) {
*this = right;
}
SemiconductorPhase& operator=(const SemiconductorPhase& right) {
if (&right != this) {
ThermoPhase::operator=(right);
m_press = right.m_press;
}
return *this;
}
virtual ThermoPhase* duplMyselfAsThermoPhase() const {
SemiconductorPhase* idg = new SemiconductorPhase(*this);
return (ThermoPhase*) idg;
}
// Overloaded methods of class ThermoPhase
virtual int eosType() const {
warn_deprecated("SemiconductorPhase::eosType",
"To be removed after Cantera 2.3.");
return cSemiconductor;
}
virtual std::string type() const {
return "Semiconductor";
}
virtual void setPressure(doublereal pres) {
m_press = pres;
}
virtual doublereal pressure() const {
return m_press;
}
virtual void setParametersFromXML(const XML_Node& eosdata) {
eosdata._require("model","Semiconductor");
doublereal rho = getFloat(eosdata, "density", "-");
setDensity(rho);
m_bandgap = getFloat(eosdata, "bandgap", "-");
doublereal e_mass = getFloat(eosdata, "electron_mass", "-");
doublereal h_mass = getFloat(eosdata, "hole_mass", "-");
doublereal e_donor = getFloat(eosdata, "donor_energy", "-");
doublereal n_donor = getFloat(eosdata, "donor_concentration", "-");
doublereal e_acceptor = getFloat(eosdata, "acceptor_energy", "-");
doublereal n_acceptor = getFloat(eosdata, "acceptor_concentration", "-");
setEffectiveMasses(e_mass, h_mass);
setDonorDoping(n_donor, e_donor);
setAcceptorDoping(n_acceptor, e_acceptor);
}
void setEffectiveMasses(doublereal e_mass, doublereal h_mass) {
m_emass = e_mass;
m_hmass = h_mass;
}
void setDonorDoping(doublereal n_donor, doublereal e_donor) {
m_ndonor = n_donor;
m_edonor = e_donor;
}
void setAcceptorDoping(doublereal n_acceptor, doublereal e_acceptor) {
m_nacceptor = n_acceptor;
m_eacceptor = e_acceptor;
}
doublereal effectiveMass_e() const {
return m_emass;
}
doublereal effectiveMass_h() const {
return m_hmass;
}
doublereal fermiLevel() const {
return m_fermi_level;
}
virtual void getChemPotentials(doublereal* mu) const;
doublereal nc() const;
doublereal nv() const;
/*!
* Energy at the top of the conduction band. By default, energies are
* referenced to this energy, and so this function simply returns zero.
*/
doublereal ec() const;
doublereal ev() const;
doublereal bandgap() const {
return m_bandgap;
}
private:
doublereal m_press;
doublereal m_emass;
doublereal m_hmass;
doublereal m_ndonor;
doublereal m_edonor;
doublereal m_nacceptor;
doublereal m_eacceptor;
doublereal m_fermi_level;
doublereal m_bandgap;
mutable vector_fp m_work;
void initLengths();
};
}
#endif

55
include/cantera/thermo/ShomatePoly.h
View file

@ -57,13 +57,6 @@ namespace Cantera
class ShomatePoly : public SpeciesThermoInterpType
{
public:
//! Empty constructor
//! @deprecated Default constructor to be removed after Cantera 2.3.
ShomatePoly() {
warn_deprecated("ShomatePoly::ShomatePoly()",
"Default constructor to be removed after Cantera 2.3.");
}
//! Normal constructor
/*!
* @param tlow Minimum temperature
@ -85,11 +78,6 @@ public:
m_coeff5_orig = m_coeff[5];
}
virtual SpeciesThermoInterpType*
duplMyselfAsSpeciesThermoInterpType() const {
return new ShomatePoly(*this);
}
virtual int reportType() const {
return SHOMATE;
}
@ -156,16 +144,6 @@ public:
}
}
//! @deprecated To be removed after Cantera 2.3. Use
//! MultiSpeciesThermo::modifySpecies instead.
virtual void modifyParameters(doublereal* coeffs) {
warn_deprecated("ShomatePoly::modifyParameters", "To be removed after "
"Cantera 2.3. Use MultiSpeciesThermo::modifySpecies instead.");
for (size_t i = 0; i < 7; i++) {
m_coeff[i] = coeffs[i] * 1000 / GasConstant;
}
}
virtual doublereal reportHf298(doublereal* const h298 = 0) const {
double cp_R, h_RT, s_R;
updatePropertiesTemp(298.15, &cp_R, &h_RT, &s_R);
@ -232,16 +210,6 @@ protected:
class ShomatePoly2 : public SpeciesThermoInterpType
{
public:
//! Empty constructor
//! @deprecated Default constructor to be removed after Cantera 2.3.
ShomatePoly2()
: m_midT(0.0)
{
warn_deprecated("ShomatePoly2::ShomatePoly2()",
"Default constructor to be removed after Cantera 2.3.");
m_coeff.resize(15);
}
//! Normal constructor
/*!
* @param tlow Minimum temperature
@ -259,11 +227,6 @@ public:
{
}
virtual SpeciesThermoInterpType*
duplMyselfAsSpeciesThermoInterpType() const {
return new ShomatePoly2(*this);
}
virtual int reportType() const {
return SHOMATE2;
}
@ -311,24 +274,6 @@ public:
}
}
//! Modify parameters for the standard state
/*!
* Here, we take the tact that we will just regenerate the object.
*
* @param coeffs Vector of coefficients used to set the
* parameters for the standard state.
* @deprecated To be removed after Cantera 2.3. Use
* MultiSpeciesThermo::modifySpecies instead.
*/
virtual void modifyParameters(doublereal* coeffs) {
warn_deprecated("ShomatePoly2::modifyParameters", "To be removed after "
"Cantera 2.3. Use MultiSpeciesThermo::modifySpecies instead.");
std::copy(coeffs, coeffs + 15, m_coeff.begin());
m_midT = coeffs[0];
msp_low = ShomatePoly(m_lowT, m_midT, m_Pref, coeffs+1);
msp_high = ShomatePoly(m_midT, m_highT, m_Pref, coeffs+8);
}
virtual doublereal reportHf298(doublereal* const h298 = 0) const {
doublereal h;
if (298.15 <= m_midT) {

11
include/cantera/thermo/SingleSpeciesTP.h
View file

@ -59,17 +59,6 @@ public:
//! Base empty constructor.
SingleSpeciesTP();
SingleSpeciesTP(const SingleSpeciesTP& right);
SingleSpeciesTP& operator=(const SingleSpeciesTP& right);
virtual ThermoPhase* duplMyselfAsThermoPhase() const;
/**
* Returns the equation of state type flag. This is a modified base class.
* Therefore, if not overridden in derived classes, this call will throw an
* exception.
* @deprecated To be removed after Cantera 2.3.
*/
virtual int eosType() const;
virtual std::string type() const {
return "SingleSpecies";
}

7
include/cantera/thermo/Species.h
View file

@ -29,10 +29,9 @@ public:
Species(const std::string& name, const compositionMap& comp,
double charge=0.0, double size=1.0);
//! @deprecated To be removed after Cantera 2.3.
Species(const Species& other);
//! @deprecated To be removed after Cantera 2.3.
Species& operator=(const Species& other);
//! Species objects are not copyable or assignable
Species(const Species&) = delete;
Species& operator=(const Species& other) = delete;
~Species();
//! The name of the species

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

@ -1,29 +0,0 @@
/**
* @file SpeciesThermo.h
* @deprecated To be removed after Cantera 2.3.
*/
#ifndef CT_SPECIESTHERMO_H
#define CT_SPECIESTHERMO_H
#pragma message "Deprecated. SpeciesThermo.h will be removed after Cantera 2.3. Use MultiSpeciesThermo.h instead."
#include "cantera/base/ct_defs.h"
#include "MultiSpeciesThermo.h"
namespace Cantera
{
//! @deprecated To be removed after Cantera 2.3. Use class MultiSpeciesThermo
//! instead.
class SpeciesThermo : public MultiSpeciesThermo
{
SpeciesThermo() {
warn_deprecated("class SpeciesThermo", "To be removed after Cantera 2.3. "
"Use class MultiSpeciesThermo instead.");
}
};
}
#endif

58
include/cantera/thermo/SpeciesThermoInterpType.h
View file

@ -124,20 +124,12 @@ public:
SpeciesThermoInterpType(double tlow, double thigh, double pref);
//! @deprecated Copy constructor to be removed after Cantera 2.3 for all
//! classes derived from SpeciesThermoInterpType.
SpeciesThermoInterpType(const SpeciesThermoInterpType& b);
//! @deprecated Assignment operator to be removed after Cantera 2.3 for all
//! classes derived from SpeciesThermoInterpType.
SpeciesThermoInterpType& operator=(const SpeciesThermoInterpType& b);
// SpeciesThermoInterpType objects are not copyable or assignable
SpeciesThermoInterpType(const SpeciesThermoInterpType& b) = delete;
SpeciesThermoInterpType& operator=(const SpeciesThermoInterpType& b) = delete;
virtual ~SpeciesThermoInterpType() {}
//! @deprecated To be removed after Cantera 2.3 for all classes derived
//! from SpeciesThermoInterpType.
virtual SpeciesThermoInterpType*
duplMyselfAsSpeciesThermoInterpType() const = 0;
//! Returns the minimum temperature that the thermo parameterization is
//! valid
virtual doublereal minTemp() const {
@ -224,19 +216,6 @@ public:
doublereal& refPressure,
doublereal* const coeffs) const = 0;
//! Modify parameters for the standard state
/*!
* @param coeffs Vector of coefficients used to set the parameters for the
* standard state.
* @deprecated To be removed after Cantera 2.3. Use
* MultiSpeciesThermo::modifySpecies instead.
*/
virtual void modifyParameters(doublereal* coeffs) {
warn_deprecated("SpeciesThermoInterpType::modifyParameters", "To be "
"removed after Cantera 2.3. Use MultiSpeciesThermo::modifySpecies "
"instead.");
}
//! Report the 298 K Heat of Formation of the standard state of one species
//! (J kmol-1)
/*!
@ -299,10 +278,6 @@ protected:
class STITbyPDSS : public SpeciesThermoInterpType
{
public:
//! Constructor
//! @deprecated Default constructor to be removed after Cantera 2.3.
STITbyPDSS();
//! Main Constructor
/*!
* @param vpssmgr_ptr Pointer to the Variable pressure standard state
@ -313,26 +288,6 @@ public:
*/
STITbyPDSS(VPSSMgr* vpssmgr_ptr, PDSS* PDSS_ptr);
STITbyPDSS(const STITbyPDSS& b);
virtual SpeciesThermoInterpType* duplMyselfAsSpeciesThermoInterpType() const;
//! Initialize and/or Reinitialize all the pointers for this object
/*!
* This routine is needed because the STITbyPDSS object doesn't own the
* underlying objects. Therefore, shallow copies during duplication
* operations may fail.
*
* @param speciesIndex species index for this object. Note, this must agree
* with what was internally set before.
* @param vpssmgr_ptr Pointer to the Variable pressure standard state
* manager that owns the PDSS object that will handle calls for this
* object
* @param PDSS_ptr Pointer to the PDSS object that handles calls for
* this object
*/
void initAllPtrs(size_t speciesIndex, VPSSMgr* vpssmgr_ptr, PDSS* PDSS_ptr);
virtual doublereal minTemp() const;
virtual doublereal maxTemp() const;
virtual doublereal refPressure() const;
@ -352,13 +307,6 @@ public:
doublereal& refPressure,
doublereal* const coeffs) const;
//! @deprecated To be removed after Cantera 2.3. Use
//! MultiSpeciesThermo::modifySpecies instead.
virtual void modifyParameters(doublereal* coeffs) {
warn_deprecated("STITbyPDSS::modifyParameters", "To be removed after "
"Cantera 2.3. Use MultiSpeciesThermo::modifySpecies instead.");
}
private:
//! Pointer to the Variable pressure standard state manager that owns the
//! PDSS object that will handle calls for this object

11
include/cantera/thermo/StoichSubstance.h
View file

@ -169,17 +169,6 @@ public:
*/
StoichSubstance(XML_Node& phaseRef, const std::string& id = "");
StoichSubstance(const StoichSubstance& right);
StoichSubstance& operator=(const StoichSubstance& right);
virtual ThermoPhase* duplMyselfAsThermoPhase() const;
/**
* Equation of state flag.
*
* Returns the value cStoichSubstance, defined in mix_defs.h.
* @deprecated To be removed after Cantera 2.3.
*/
virtual int eosType() const;
virtual std::string type() const {
return "StoichSubstance";
}

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

@ -1,12 +0,0 @@
#ifndef CT_STOICHSUBSTANCESSTP_H
#define CT_STOICHSUBSTANCESSTP_H
#include "StoichSubstance.h"
#pragma message "cantera/thermo/StoichSubstanceSSTP.h and class StoichSubstanceSSTP are deprecated. Use StoichSubstance.h and class StoichSubstance instead. To be removed after Cantera 2.3."
namespace Cantera {
typedef StoichSubstance StoichSubstanceSSTP;
}
#endif

15
include/cantera/thermo/SurfPhase.h
View file

@ -12,7 +12,6 @@
#ifndef CT_SURFPHASE_H
#define CT_SURFPHASE_H
#include "mix_defs.h"
#include "ThermoPhase.h"
namespace Cantera
@ -166,20 +165,6 @@ public:
*/
SurfPhase(XML_Node& xmlphase);
SurfPhase(const SurfPhase& right);
SurfPhase& operator=(const SurfPhase& right);
virtual ThermoPhase* duplMyselfAsThermoPhase() const;
//! Equation of state type flag.
/*!
* Redefine this to return cSurf, listed in mix_defs.h.
* @deprecated To be removed after Cantera 2.3.
*/
virtual int eosType() const {
warn_deprecated("SurfPhase::eosType",
"To be removed after Cantera 2.3.");
return cSurf;
}
virtual std::string type() const {
return "Surf";
}

23
include/cantera/thermo/ThermoFactory.h
View file

@ -97,31 +97,12 @@ private:
* @returns a pointer to a new ThermoPhase instance matching the model string.
* Returns NULL if something went wrong. Throws an exception
* UnknownThermoPhaseModel if the string wasn't matched.
* @deprecated The `ThermoFactory*` argument to this function is deprecated and
* will be removed after Cantera 2.3.
*/
inline ThermoPhase* newThermoPhase(const std::string& model,
ThermoFactory* f=0)
inline ThermoPhase* newThermoPhase(const std::string& model)
{
if (f == 0) {
f = ThermoFactory::factory();
} else {
warn_deprecated("newThermoPhase(string, ThermoFactory*)",
"The `ThermoFactory*` argument to this function is deprecated and"
" will be removed after Cantera 2.3.");
}
return f->create(model);
return ThermoFactory::factory()->create(model);
}
//! Translate the eosType id into a string
/*!
* @param ieos eosType id of the phase. This is unique for the phase
* @param length maximum length of the return string. Defaults to 100
* @returns a string representation of the eosType id for a phase
* @deprecated To be removed after Cantera 2.3.
*/
std::string eosTypeString(int ieos, int length = 100);
//! Create a new ThermoPhase object and initializes it according to the XML tree
/*!
* This routine first looks up the identity of the model for the solution

96
include/cantera/thermo/ThermoPhase.h
View file

@ -99,42 +99,9 @@ public:
virtual ~ThermoPhase();
//! @deprecated Copy constructor to be removed after Cantera 2.3 for all
//! classes derived from ThermoPhase.
ThermoPhase(const ThermoPhase& right);
//! @deprecated Assignment operator to be removed after Cantera 2.3 for all
//! classes derived from ThermoPhase.
ThermoPhase& operator=(const ThermoPhase& right);
//! Duplication routine for objects which inherit from ThermoPhase.
/*!
* This virtual routine can be used to duplicate ThermoPhase objects
* inherited from ThermoPhase even if the application only has
* a pointer to ThermoPhase to work with.
*
* These routines are basically wrappers around the derived copy
* constructor.
* @deprecated To be removed after Cantera 2.3 for all classes derived from
* ThermoPhase.
*/
virtual ThermoPhase* duplMyselfAsThermoPhase() const;
//! @name Information Methods
//! @{
//! Equation of state type flag.
/*!
* The base class returns zero. Subclasses should define this to return a
* unique non-zero value. Constants defined for this purpose are listed in
* mix_defs.h.
* @deprecated To be removed after Cantera 2.3. Use `type()` instead.
*/
virtual int eosType() const {
warn_deprecated("ThermoPhase::eosType",
"To be removed after Cantera 2.3.");
return 0;
}
//! String indicating the thermodynamic model implemented. Usually
//! corresponds to the name of the derived class, less any suffixes such as
//! "Phase", TP", "VPSS", etc.
@ -737,23 +704,6 @@ public:
throw NotImplementedError("ThermoPhase::getStandardVolumes_ref");
}
//! Sets the reference composition
/*!
* @param x Mole fraction vector to set the reference composition to.
* If this is zero, then the reference mole fraction
* is set to the current mole fraction vector.
* @deprecated Unused. To be removed after Cantera 2.3.
*/
virtual void setReferenceComposition(const doublereal* const x);
//! Gets the reference composition
/*!
* The reference mole fraction is a safe mole fraction.
* @param x Mole fraction vector containing the reference composition.
* @deprecated Unused. To be removed after Cantera 2.3.
*/
virtual void getReferenceComposition(doublereal* const x) const;
// The methods below are not virtual, and should not be overloaded.
//@}
@ -791,17 +741,6 @@ public:
}
//@}
//! Return the Gas Constant multiplied by the current temperature
/*!
* The units are Joules kmol-1.
* @deprecated use RT() instead. To be removed after Cantera 2.3.
*/
doublereal _RT() const {
warn_deprecated("ThermoPhase::_RT()",
"use RT() instead. To be removed after Cantera 2.3.");
return temperature() * GasConstant;
}
//! Return the Gas Constant multiplied by the current temperature
/*!
* The units are Joules kmol-1
@ -1431,22 +1370,6 @@ public:
//! data for this phase.
const std::vector<const XML_Node*> & speciesData() const;
//! Install a species thermodynamic property manager.
/*!
* The species thermodynamic property manager computes properties of the
* pure species for use in constructing solution properties. It is meant for
* internal use, and some classes derived from ThermoPhase may not use any
* species thermodynamic property manager. This method is called by function
* importPhase().
*
* @param spthermo input pointer to the species thermodynamic property
* manager.
*
* @internal
* @deprecated Unused. To be removed after Cantera 2.3.
*/
void setSpeciesThermo(MultiSpeciesThermo* spthermo);
//! Return a changeable reference to the calculation manager for species
//! reference-state thermodynamic properties
/*!
@ -1511,15 +1434,6 @@ public:
*/
virtual void initThermo();
//! Add in species from Slave phases
/*!
* This hook is used for cSS_CONVENTION_SLAVE phases
*
* @param phaseNode XML Element for the phase
* @deprecated Unused. To be removed after Cantera 2.3.
*/
virtual void installSlavePhases(XML_Node* phaseNode);
//! Set the equation of state parameters
/*!
* @internal The number and meaning of these depends on the subclass.
@ -1723,16 +1637,6 @@ protected:
//! Contains the standard state convention
int m_ssConvention;
//! Reference Mole Fraction Composition
/*!
* Occasionally, the need arises to find a safe mole fraction vector to
* initialize the object to. This contains such a vector. The algorithm
* will pick up the mole fraction vector that is applied from the state XML
* file in the input file
* @deprecated To be removed after Cantera 2.3.
*/
vector_fp xMol_Ref;
//! last value of the temperature processed by reference state
mutable doublereal m_tlast;
};

49
include/cantera/thermo/VPSSMgr.h
View file

@ -13,7 +13,6 @@
#ifndef CT_VPSSMGR_H
#define CT_VPSSMGR_H
#include "mix_defs.h"
#include "cantera/base/global.h"
namespace Cantera
@ -239,21 +238,9 @@ public:
virtual ~VPSSMgr() {}
//! @deprecated Copy constructor to be removed after Cantera 2.3 for all
//! classes derived from VPSSMgr.
VPSSMgr(const VPSSMgr& right);
//! @deprecated Assignment operator to be removed after Cantera 2.3 for all
//! classes derived from VPSSMgr.
VPSSMgr& operator=(const VPSSMgr& right);
//! Duplication routine for objects which derive from VPSSMgr
/*!
* This function can be used to duplicate objects derived from VPSSMgr
* even if the application only has a pointer to VPSSMgr to work with.
* @deprecated To be removed after Cantera 2.3 for all classes derived from
* VPSSMgr.
*/
virtual VPSSMgr* duplMyselfAsVPSSMgr() const;
// VPSSMgr objects are not copyable or assignable
VPSSMgr(const VPSSMgr&) = delete;
VPSSMgr& operator=(const VPSSMgr&) = delete;
//! @name Properties of the Standard State of the Species in the Solution
//! @{
@ -565,23 +552,6 @@ public:
*/
//@{
//! This utility function reports the type of parameterization used for the
//! species with index number index.
/*!
* @param index Species index
* @deprecated To be removed after Cantera 2.3.
*/
virtual PDSS_enumType reportPDSSType(int index = -1) const;
//! This utility function reports the type of manager for the calculation of
//! ss properties
/*!
* @returns an enum type called VPSSMgr_enumType, which is a list of the
* known VPSSMgr objects
* @deprecated Unused. To be removed after Cantera 2.3.
*/
virtual VPSSMgr_enumType reportVPSSMgrType() const;
//! Minimum temperature.
/*!
* If no argument is supplied, this method returns the minimum temperature
@ -684,19 +654,6 @@ public:
virtual PDSS* createInstallPDSS(size_t k, const XML_Node& speciesNode,
const XML_Node* const phaseNode_ptr);
//! Initialize the internal shallow pointers in this object
/*!
* There are a bunch of internal shallow pointers that point to the owning
* VPStandardStateTP and MultiSpeciesThermo objects. This function reinitializes
* them. This function is called like an onion.
*
* @param vp_ptr Pointer to the VPStandardStateTP standard state
* @param sp_ptr Pointer to the MultiSpeciesThermo standard state
* @deprecated To be removed after Cantera 2.3 for all classes derived from
* VPSSMgr.
*/
virtual void initAllPtrs(VPStandardStateTP* vp_ptr, MultiSpeciesThermo* sp_ptr);
//!@}
protected:

7
include/cantera/thermo/VPSSMgr_ConstVol.h
View file

@ -35,10 +35,6 @@ public:
*/
VPSSMgr_ConstVol(VPStandardStateTP* vp_ptr, MultiSpeciesThermo* spth);
VPSSMgr_ConstVol(const VPSSMgr_ConstVol& right);
VPSSMgr_ConstVol& operator=(const VPSSMgr_ConstVol& right);
virtual VPSSMgr* duplMyselfAsVPSSMgr() const;
/*!
* @name Properties of the Standard State of the Species in the Solution
*
@ -101,9 +97,6 @@ public:
virtual PDSS* createInstallPDSS(size_t k, const XML_Node& speciesNode,
const XML_Node* const phaseNode_ptr);
//@}
virtual PDSS_enumType reportPDSSType(int index = -1) const;
virtual VPSSMgr_enumType reportVPSSMgrType() const;
};
}

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

@ -40,10 +40,6 @@ public:
VPSSMgr_General(VPStandardStateTP* vp_ptr,
MultiSpeciesThermo* spth);
VPSSMgr_General(const VPSSMgr_General& right);
VPSSMgr_General& operator=(const VPSSMgr_General& right);
virtual VPSSMgr* duplMyselfAsVPSSMgr() const;
protected:
/*!
* @name Properties of the Standard State of the Species in the Solution
@ -121,10 +117,6 @@ public:
virtual PDSS* createInstallPDSS(size_t k, const XML_Node& speciesNode,
const XML_Node* const phaseNode_ptr);
virtual PDSS_enumType reportPDSSType(int index = -1) const;
virtual VPSSMgr_enumType reportVPSSMgrType() const;
virtual void initAllPtrs(VPStandardStateTP* vp_ptr, MultiSpeciesThermo* sp_ptr);
private:
//! Shallow pointers containing the PDSS objects for the species
//! in this phase. This object doesn't own these pointers.

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

@ -37,10 +37,6 @@ public:
*/
VPSSMgr_IdealGas(VPStandardStateTP* vp_ptr, MultiSpeciesThermo* spth);
VPSSMgr_IdealGas(const VPSSMgr_IdealGas& right);
VPSSMgr_IdealGas& operator=(const VPSSMgr_IdealGas& right);
virtual VPSSMgr* duplMyselfAsVPSSMgr() const;
/*! @name Properties of the Standard State of the Species in the Solution
* Within VPStandardStateTP, these properties are calculated via a common
* routine, _updateStandardStateThermo(), which must be overloaded in
@ -76,10 +72,8 @@ public:
*/
virtual PDSS* createInstallPDSS(size_t k, const XML_Node& speciesNode,
const XML_Node* const phaseNode_ptr);
virtual PDSS_enumType reportPDSSType(int index = -1) const;
virtual VPSSMgr_enumType reportVPSSMgrType() const;
};
}
#endif

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

@ -35,10 +35,6 @@ public:
*/
VPSSMgr_Water_ConstVol(VPStandardStateTP* vp_ptr, MultiSpeciesThermo* sp_ptr);
VPSSMgr_Water_ConstVol(const VPSSMgr_Water_ConstVol& right);
VPSSMgr_Water_ConstVol& operator=(const VPSSMgr_Water_ConstVol& right);
virtual VPSSMgr* duplMyselfAsVPSSMgr() const;
private:
/*!
* @name Properties of the Standard State of the Species in the Solution
@ -85,10 +81,6 @@ public:
virtual PDSS* createInstallPDSS(size_t k, const XML_Node& speciesNode,
const XML_Node* const phaseNode_ptr);
virtual PDSS_enumType reportPDSSType(int index = -1) const;
virtual VPSSMgr_enumType reportVPSSMgrType() const;
virtual void initAllPtrs(VPStandardStateTP* vp_ptr, MultiSpeciesThermo* sp_ptr);
private:
//! Pointer to the Water PDSS object.
/*!

23
include/cantera/thermo/VPSSMgr_Water_HKFT.h
View file

@ -34,10 +34,6 @@ public:
VPSSMgr_Water_HKFT(VPStandardStateTP* vptp_ptr,
MultiSpeciesThermo* spth);
VPSSMgr_Water_HKFT(const VPSSMgr_Water_HKFT& right);
VPSSMgr_Water_HKFT& operator=(const VPSSMgr_Water_HKFT& right);
virtual VPSSMgr* duplMyselfAsVPSSMgr() const;
/*! @name Thermodynamic Values for the Species Reference States
* There are also temporary variables for holding the species reference-
* state values of Cp, H, S, and V at the last temperature and reference
@ -84,15 +80,6 @@ private:
//@}
public:
/*! @name Utility Methods - Reports on various quantities
* The following methods are used in the process of reporting
* various states and attributes
*/
//@{
virtual PDSS_enumType reportPDSSType(int index = -1) const;
virtual VPSSMgr_enumType reportVPSSMgrType() const;
//@}
/*! @name Initialization Methods - For Internal use (VPStandardState)
* The following methods are used in the process of constructing
* the phase and setting its parameters from a specification in an
@ -105,16 +92,6 @@ public:
const XML_Node* const phaseNode_ptr);
//@}
//! Initialize the internal shallow pointers in this object
/*!
* There are a bunch of internal shallow pointers that point to the owning
* VPStandardStateTP and MultiSpeciesThermo objects. This function reinitializes
* them. This function is called like an onion.
*
* @param vp_ptr Pointer to the VPStandardStateTP standard state
* @param sp_ptr Pointer to the MultiSpeciesThermo standard state
*/
virtual void initAllPtrs(VPStandardStateTP* vp_ptr, MultiSpeciesThermo* sp_ptr);
private:
//! Shallow pointer to the water object
PDSS_Water* m_waterSS;

4
include/cantera/thermo/VPStandardStateTP.h
View file

@ -53,10 +53,6 @@ public:
/// Constructor.
VPStandardStateTP();
VPStandardStateTP(const VPStandardStateTP& b);
VPStandardStateTP& operator=(const VPStandardStateTP& b);
virtual ThermoPhase* duplMyselfAsThermoPhase() const;
//@}
//! @name Utilities (VPStandardStateTP)
//@{

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