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Copy constructors, assignment operators, and duplicators:

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Extended these to the more common ThermoPhase objects.
This commit is contained in:
Harry Moffat 2007-06-04 18:39:07 +00:00
parent 6a85d86b78
commit 410dd699da
9 changed files with 422 additions and 57 deletions
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7
Cantera/src/thermo/DebyeHuckel.h
View file

@ -639,6 +639,13 @@ namespace Cantera {
virtual ~DebyeHuckel();
//! Duplicator from the ThermoPhase parent class
/*!
* Given a pointer to a ThermoPhase object, this function will
* duplicate the ThermoPhase object and all underlying structures.
* This is basically a wrapper around the copy constructor.
*
* @return returns a pointer to a ThermoPhase
*/
ThermoPhase *duplMyselfAsThermoPhase() const;
/**

39
Cantera/src/thermo/HMWSoln.h
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@ -89,15 +89,37 @@ namespace Cantera {
public:
/// Constructors
/// Default Constructor
HMWSoln();
HMWSoln(const HMWSoln &);
HMWSoln& operator=(const HMWSoln&);
//! Full constructor for setting up the entire ThermoPhase Object
HMWSoln(std::string inputFile, std::string id = "");
//! Full constructor for setting up the entire ThermoPhase Object
HMWSoln(XML_Node& phaseRef, std::string id = "");
//! Copy Constructor
/*!
* Copy constructor for the object. Constructed
* object will be a clone of this object, but will
* also own all of its data.
* This is a wrapper around the assignment operator
*
* @param right Object to be copied.
*/
HMWSoln(const HMWSoln &right);
//! Asignment operator
/*!
* Assignment operator for the object. Constructed
* object will be a clone of this object, but will
* also own all of its data.
*
* @param right Object to be copied.
*/
HMWSoln& operator=(const HMWSoln& right);
/**
* This is a special constructor, used to replicate test problems
* during the initial verification of the object
@ -107,7 +129,14 @@ namespace Cantera {
/// Destructor.
virtual ~HMWSoln();
//! Duplicator from the ThermoPhase parent class
/*!
* Given a pointer to a ThermoPhase object, this function will
* duplicate the ThermoPhase object and all underlying structures.
* This is basically a wrapper around the copy constructor.
*
* @return returns a pointer to a ThermoPhase
*/
ThermoPhase *duplMyselfAsThermoPhase() const;
/**

127
Cantera/src/thermo/IdealGasPhase.cpp
View file

@ -23,7 +23,7 @@
using namespace std;
namespace Cantera {
// Empty Constructor
// Default empty Constructor
IdealGasPhase::IdealGasPhase():
m_mm(0),
m_tmin(0.0),
@ -34,7 +34,130 @@ namespace Cantera {
{
}
// Molar Thermodynamic Properties of the Solution ----------
// Copy Constructor
IdealGasPhase::IdealGasPhase(const IdealGasPhase& right):
m_mm(right.m_mm),
m_tmin(right.m_tmin),
m_tmax(right.m_tmax),
m_p0(right.m_p0),
m_tlast(right.m_tlast),
m_logc0(right.m_logc0)
{
/*
* Use the assignment operator to do the brunt
* of the work for the copy construtor.
*/
*this = right;
}
// Asignment operator
/*
* Assignment operator for the object. Constructed
* object will be a clone of this object, but will
* also own all of its data.
*
* @param right Object to be copied.
*/
IdealGasPhase& IdealGasPhase::
operator=(const IdealGasPhase &right) {
if (&right != this) {
ThermoPhase::operator=(right);
m_mm = right.m_mm;
m_tmin = right.m_tmin;
m_tmax = right.m_tmax;
m_p0 = right.m_p0;
m_tlast = right.m_tlast;
m_logc0 = right.m_logc0;
m_h0_RT = right.m_h0_RT;
m_cp0_R = right.m_cp0_R;
m_g0_RT = right.m_g0_RT;
m_s0_R = right.m_s0_R;
m_expg0_RT= right.m_expg0_RT;
m_pe = right.m_pe;
m_pp = right.m_pp;
}
return *this;
}
// Duplicator from the %ThermoPhase parent class
/*
* Given a pointer to a %ThermoPhase object, this function will
* duplicate the %ThermoPhase object and all underlying structures.
* This is basically a wrapper around the copy constructor.
*
* @return returns a pointer to a %ThermoPhase
*/
ThermoPhase *IdealGasPhase::duplMyselfAsThermoPhase() const {
ThermoPhase *igp = new IdealGasPhase(*this);
return (ThermoPhase *) igp;
}
// Molar Thermodynamic Properties of the Solution ------------------
/*
* Molar internal energy. J/kmol. For an ideal gas mixture,
* \f[
* \hat u(T) = \sum_k X_k \hat h^0_k(T) - \hat R T,
* \f]
* and is a function only of temperature.
* The reference-state pure-species enthalpies
* \f$ \hat h^0_k(T) \f$ are computed by the species thermodynamic
* property manager.
* @see SpeciesThermo
*/
doublereal IdealGasPhase::intEnergy_mole() const {
return GasConstant * temperature()
* ( mean_X(&enthalpy_RT_ref()[0]) - 1.0);
}
/*
* Molar entropy. Units: J/kmol/K.
* For an ideal gas mixture,
* \f[
* \hat s(T, P) = \sum_k X_k \hat s^0_k(T) - \hat R \log (P/P^0).
* \f]
* The reference-state pure-species entropies
* \f$ \hat s^0_k(T) \f$ are computed by the species thermodynamic
* property manager.
* @see SpeciesThermo
*/
doublereal IdealGasPhase::entropy_mole() const {
return GasConstant * (mean_X(&entropy_R_ref()[0]) -
sum_xlogx() - std::log(pressure()/m_spthermo->refPressure()));
}
/*
* Molar Gibbs free Energy for an ideal gas.
* Units = J/kmol.
*/
doublereal IdealGasPhase::gibbs_mole() const {
return enthalpy_mole() - temperature() * entropy_mole();
}
/*
* Molar heat capacity at constant pressure. Units: J/kmol/K.
* For an ideal gas mixture,
* \f[
* \hat c_p(t) = \sum_k \hat c^0_{p,k}(T).
* \f]
* The reference-state pure-species heat capacities
* \f$ \hat c^0_{p,k}(T) \f$ are computed by the species thermodynamic
* property manager.
* @see SpeciesThermo
*/
doublereal IdealGasPhase::cp_mole() const {
return GasConstant * mean_X(&cp_R_ref()[0]);
}
/*
* Molar heat capacity at constant volume. Units: J/kmol/K.
* For an ideal gas mixture,
* \f[ \hat c_v = \hat c_p - \hat R. \f]
*/
doublereal IdealGasPhase::cv_mole() const {
return cp_mole() - GasConstant;
}
// Mechanical Equation of State ----------------------------
// Chemical Potentials and Activities ----------------------

59
Cantera/src/thermo/IdealGasPhase.h
View file

@ -313,12 +313,44 @@ namespace Cantera {
public:
//! Empty Constructor
//! Default empty Constructor
IdealGasPhase();
//! Copy Constructor
/*!
* Copy constructor for the object. Constructed
* object will be a clone of this object, but will
* also own all of its data.
* This is a wrapper around the assignment operator
*
* @param right Object to be copied.
*/
IdealGasPhase(const IdealGasPhase &right);
//! Asignment operator
/*!
* Assignment operator for the object. Constructed
* object will be a clone of this object, but will
* also own all of its data.
*
* @param right Object to be copied.
*/
IdealGasPhase& operator=(const IdealGasPhase& right);
//! Destructor
virtual ~IdealGasPhase() {}
//! Duplicator from the %ThermoPhase parent class
/*!
* Given a pointer to a %ThermoPhase object, this function will
* duplicate the %ThermoPhase object and all underlying structures.
* This is basically a wrapper around the inherited copy constructor.
*
* @return returns a pointer to a %ThermoPhase object, containing
* a copy of the current object
*/
ThermoPhase *duplMyselfAsThermoPhase() const;
//! Equation of state flag.
/*!
* Returns the value cIdealGas, defined in mix_defs.h.
@ -360,10 +392,7 @@ namespace Cantera {
* property manager.
* @see SpeciesThermo
*/
virtual doublereal intEnergy_mole() const {
return GasConstant * temperature()
* ( mean_X(&enthalpy_RT_ref()[0]) - 1.0);
}
virtual doublereal intEnergy_mole() const;
/**
* Molar entropy. Units: J/kmol/K.
@ -376,19 +405,13 @@ namespace Cantera {
* property manager.
* @see SpeciesThermo
*/
virtual doublereal entropy_mole() const {
return GasConstant * (mean_X(&entropy_R_ref()[0]) -
sum_xlogx() - std::log(pressure()/m_spthermo->refPressure()));
}
virtual doublereal entropy_mole() const;
/**
* Molar Gibbs free Energy for an ideal gas.
* Units = J/kmol.
*/
virtual doublereal gibbs_mole() const {
return enthalpy_mole() - temperature() * entropy_mole();
}
virtual doublereal gibbs_mole() const;
/**
* Molar heat capacity at constant pressure. Units: J/kmol/K.
@ -401,18 +424,14 @@ namespace Cantera {
* property manager.
* @see SpeciesThermo
*/
virtual doublereal cp_mole() const {
return GasConstant * mean_X(&cp_R_ref()[0]);
}
virtual doublereal cp_mole() const;
/**
* Molar heat capacity at constant volume. Units: J/kmol/K.
* For an ideal gas mixture,
* \f[ \hat c_v = \hat c_p - \hat R. \f]
*/
virtual doublereal cv_mole() const {
return cp_mole() - GasConstant;
}
virtual doublereal cv_mole() const;
//@}

72
Cantera/src/thermo/StoichSubstance.cpp
View file

@ -16,6 +16,78 @@
namespace Cantera {
// Default empty constructor
StoichSubstance::StoichSubstance() :
m_kk(0),
m_tmin(0.0),
m_tmax(0.0),
m_press(OneAtm),
m_p0(OneAtm),
m_tlast(-1.0) {
}
// Copy Constructor
/*
* Copy constructor for the object. Constructed
* object will be a clone of this object, but will
* also own all of its data.
* This is a wrapper around the assignment operator
*
* @param right Object to be copied.
*/
StoichSubstance::StoichSubstance(const StoichSubstance &right) :
m_kk(0),
m_tmin(0.0),
m_tmax(0.0),
m_press(OneAtm),
m_p0(OneAtm),
m_tlast(-1.0) {
*this = operator=(right);
}
// Asignment operator
/*
* Assignment operator for the object. Constructed
* object will be a clone of this object, but will
* also own all of its data.
*
* @param right Object to be copied.
*/
StoichSubstance& StoichSubstance::
operator=(const StoichSubstance &right) {
if (&right != this) {
ThermoPhase::operator=(right);
m_kk = right.m_kk;
m_tmin = right.m_tmin;
m_tmax = right.m_tmax;
m_press = right.m_press;
m_p0 = right.m_p0;
m_tlast = right.m_tlast;
m_h0_RT = right.m_h0_RT;
m_cp0_R = right.m_cp0_R;
m_s0_R = right.m_s0_R;
}
return *this;
}
// Duplicator from the %ThermoPhase parent class
/*
* Given a pointer to a %ThermoPhase object, this function will
* duplicate the %ThermoPhase object and all underlying structures.
* This is basically a wrapper around the copy constructor.
*
* @return returns a pointer to a %ThermoPhase
*/
ThermoPhase *StoichSubstance::duplMyselfAsThermoPhase() const {
ThermoPhase *igp = new StoichSubstance(*this);
return (ThermoPhase *) igp;
}
// Destructor
StoichSubstance::~StoichSubstance() {
}
void StoichSubstance::initThermo() {
m_kk = nSpecies();
if (m_kk > 1) {

43
Cantera/src/thermo/StoichSubstance.h
View file

@ -36,15 +36,42 @@ namespace Cantera {
public:
StoichSubstance():
m_kk(0),
m_tmin(0.0),
m_tmax(0.0),
m_press(OneAtm),
m_p0(OneAtm),
m_tlast(-1.0) {}
//! Default empty constructor
StoichSubstance();
virtual ~StoichSubstance() {}
//! Copy Constructor
/*!
* Copy constructor for the object. Constructed
* object will be a clone of this object, but will
* also own all of its data.
* This is a wrapper around the assignment operator
*
* @param right Object to be copied.
*/
StoichSubstance(const StoichSubstance &right);
//! Asignment operator
/*!
* Assignment operator for the object. Constructed
* object will be a clone of this object, but will
* also own all of its data.
*
* @param right Object to be copied.
*/
StoichSubstance& operator=(const StoichSubstance &right);
//! Destructor
virtual ~StoichSubstance();
//! Duplicator from the %ThermoPhase parent class
/*
* Given a pointer to a %ThermoPhase object, this function will
* duplicate the %ThermoPhase object and all underlying structures.
* This is basically a wrapper around the copy constructor.
*
* @return returns a pointer to a %ThermoPhase
*/
ThermoPhase *duplMyselfAsThermoPhase() const;
/**
*

85
Cantera/src/thermo/SurfPhase.cpp
View file

@ -33,19 +33,18 @@ using namespace std;
namespace Cantera {
SurfPhase::
SurfPhase(doublereal n0):
ThermoPhase(),
m_n0(n0),
m_logn0(0.0),
m_tmin(0.0),
m_tmax(0.0),
m_press(OneAtm),
m_tlast(0.0)
{
if (n0 > 0.0) m_logn0 = log(n0);
setNDim(2);
}
SurfPhase::SurfPhase(doublereal n0):
ThermoPhase(),
m_n0(n0),
m_logn0(0.0),
m_tmin(0.0),
m_tmax(0.0),
m_press(OneAtm),
m_tlast(0.0)
{
if (n0 > 0.0) m_logn0 = log(n0);
setNDim(2);
}
SurfPhase::SurfPhase(XML_Node& xmlphase) {
const XML_Node& th = xmlphase.child("thermo");
@ -57,6 +56,66 @@ namespace Cantera {
importPhase(xmlphase, this);
}
// Copy Constructor
/*
* Copy constructor for the object. Constructed
* object will be a clone of this object, but will
* also own all of its data.
* This is a wrapper around the assignment operator
*
* @param right Object to be copied.
*/
SurfPhase::SurfPhase(const SurfPhase &right) :
m_n0(right.m_n0),
m_logn0(right.m_logn0),
m_tmin(right.m_tmin),
m_tmax(right.m_tmax),
m_press(right.m_press),
m_tlast(right.m_tlast)
{
*this = operator=(right);
}
// Asignment operator
/*
* Assignment operator for the object. Constructed
* object will be a clone of this object, but will
* also own all of its data.
*
* @param right Object to be copied.
*/
SurfPhase& SurfPhase::
operator=(const SurfPhase &right) {
if (&right != this) {
ThermoPhase::operator=(right);
m_n0 = right.m_n0;
m_logn0 = right.m_logn0;
m_tmin = right.m_tmin;
m_tmax = right.m_tmax;
m_press = right.m_press;
m_tlast = right.m_tlast;
m_h0 = right.m_h0;
m_cp0 = right.m_cp0;
m_mu0 = right.m_mu0;
m_work = right.m_work;
m_pe = right.m_pe;
m_logsize = right.m_logsize;
}
return *this;
}
// Duplicator from the %ThermoPhase parent class
/*
* Given a pointer to a %ThermoPhase object, this function will
* duplicate the %ThermoPhase object and all underlying structures.
* This is basically a wrapper around the copy constructor.
*
* @return returns a pointer to a %ThermoPhase
*/
ThermoPhase *SurfPhase::duplMyselfAsThermoPhase() const {
ThermoPhase *igp = new SurfPhase(*this);
return (ThermoPhase *) igp;
}
doublereal SurfPhase::
enthalpy_mole() const {

30
Cantera/src/thermo/SurfPhase.h
View file

@ -167,10 +167,40 @@ namespace Cantera {
*/
SurfPhase(XML_Node& xmlphase);
//! Copy Constructor
/*!
* Copy constructor for the object. Constructed
* object will be a clone of this object, but will
* also own all of its data.
* This is a wrapper around the assignment operator
*
* @param right Object to be copied.
*/
SurfPhase(const SurfPhase &right);
//! Asignment operator
/*!
* Assignment operator for the object. Constructed
* object will be a clone of this object, but will
* also own all of its data.
*
* @param right Object to be copied.
*/
SurfPhase& operator=(const SurfPhase &right);
//! Destructor.
virtual ~SurfPhase();
//! Duplicator from the %ThermoPhase parent class
/*
* Given a pointer to a %ThermoPhase object, this function will
* duplicate the %ThermoPhase object and all underlying structures.
* This is basically a wrapper around the copy constructor.
*
* @return returns a pointer to a %ThermoPhase
*/
ThermoPhase *duplMyselfAsThermoPhase() const;
//----- reimplimented methods of class ThermoPhase ------
//! Equation of state type flag.

17
Cantera/src/thermo/ThermoPhase.h
View file

@ -264,16 +264,15 @@ namespace Cantera {
*/
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.
//! 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.
*
* Currently, this is not fully implemented. If called, an
* exception will be called.
* These routines are basically wrappers around the derived copy
* constructor.
*/
virtual ThermoPhase *duplMyselfAsThermoPhase() const;