VPSSMgr_Water_HKFT.h

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/**
 *  @file VPSSMgr_Water_HKFT.h
 * Declaration file for a derived class that handles the calculation
 * of standard state thermo properties for real water and
 *  a set of species which have the HKFT equation of state
 * (see \ref mgrpdssthermocalc and
 * class \link Cantera::VPSSMgr_Water_HKFT VPSSMgr_Water_HKFT\endlink).
 */
/*
 * Copyright (2006) Sandia Corporation. Under the terms of
 * Contract DE-AC04-94AL85000 with Sandia Corporation, the
 * U.S. Government retains certain rights in this software.
 */

#ifndef CT_VPSSMGR_WATER_HKFT_H
#define CT_VPSSMGR_WATER_HKFT_H

#include "VPSSMgr.h"

namespace Cantera
{

class SpeciesThermoInterpType;
class VPStandardStateTP;
class SpeciesThermo;
class PDSS;
class PDSS_Water;

//! Manages standard state thermo properties for real water and a set of
//! species which have the HKFT equation of state.
class VPSSMgr_Water_HKFT : public VPSSMgr
{
public:
    //! Constructor
    /*!
     * @param vptp_ptr Pointer to the Variable pressure %ThermoPhase object
     *                 This object must have already been malloced.
     *
     * @param spth     Pointer to the optional SpeciesThermo object
     *                 that will handle the calculation of the reference
     *                 state thermodynamic coefficients.
     */
    VPSSMgr_Water_HKFT(VPStandardStateTP* vptp_ptr,
                       SpeciesThermo* spth);

    //! Copy Constructor
    VPSSMgr_Water_HKFT(const VPSSMgr_Water_HKFT& right);

    //! Assignment operator
    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
     *  pressure called. These functions are not recalculated if a new call is
     *  made using the previous temperature. All calculations are done within
     *  the routine  _updateRefStateThermo().
     */
    //@{

    virtual void getEnthalpy_RT_ref(doublereal* hrt) const;
    virtual void getGibbs_RT_ref(doublereal* grt) const ;
    virtual void getGibbs_ref(doublereal* g) const ;
    virtual void getEntropy_R_ref(doublereal* er) const ;
    virtual void getCp_R_ref(doublereal* cpr) const ;
    virtual void getStandardVolumes_ref(doublereal* vol) const ;
    //@}

    virtual void setState_TP(doublereal T, doublereal P);
    virtual void setState_T(doublereal T);
    virtual void setState_P(doublereal P);

    /*! @name Setting the Internal State of the System
     *  All calls to change the internal state of the system's T and P
     *  are done through these routines
     *      - setState_TP()
     *      - setState_T()
     *      - setState_P()
     *
     *  These routine in turn call the following underlying virtual functions
     *
     *   - _updateRefStateThermo()
     *   - _updateStandardStateThermo()
     *
     *  An important point to note is that between calls the assumption
     *  that the underlying PDSS objects will retain their set Temperatures
     *  and Pressure CAN NOT BE MADE. For efficiency reasons, we may twiddle
     *  these to get derivatives.
     */
    //@{
    virtual void updateRefStateThermo() const;
private:
    virtual void _updateRefStateThermo() const;
    virtual void _updateStandardStateThermo();
    //@}

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
     * input file. They are not normally used in application programs.
     * To see how they are used, see files importCTML.cpp and
     * ThermoFactory.cpp.
     */
    //@{
    virtual void initThermo();
    virtual void initThermoXML(XML_Node& phaseNode, const std::string& id);
    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 SpeciesThermo 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 SpeciesThermo standard state
     */
    virtual void initAllPtrs(VPStandardStateTP* vp_ptr, SpeciesThermo* sp_ptr);
private:
    //! Shallow pointer to the water object
    PDSS_Water* m_waterSS;

    //! Last reference temperature calculated
    /*!
     * Reference state calculations are totally separated from
     * standard state calculations.
     */
    mutable doublereal m_tlastRef;
};
}

#endif