c884917c95
thermo XML node now takes a couple of extra XML nodes that can specify explicitly which standardStateManager and which variblePressureStandardState manager to use. These are : <standardStateManager model="provide_specific_model_here"> and <variablePressureStandardStateManager model="provide_specific_model_here"> Previously, these were being determined implicitly by querying the input deck. However, it seems a no brainer to put the capability for putting explicit instructions in.
438 lines
11 KiB
C++
438 lines
11 KiB
C++
/**
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* @file VPSSMgr.cpp
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* Definition file for a virtual base class that manages
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* the calculation of standard state properties for all of the
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* species in a single phase, assuming a variable P and T standard state
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* (see \ref thermoprops and
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* class \link Cantera::VPSSMgr VPSSMgr\endlink).
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*/
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/*
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* Copywrite (2005) Sandia Corporation. Under the terms of
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* Contract DE-AC04-94AL85000 with Sandia Corporation, the
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* U.S. Government retains certain rights in this software.
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*/
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/*
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* $Author$
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* $Date$
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* $Revision$
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*/
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// turn off warnings under Windows
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#ifdef WIN32
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#pragma warning(disable:4786)
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#pragma warning(disable:4503)
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#endif
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#include "VPSSMgr.h"
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#include "VPStandardStateTP.h"
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#include "SpeciesThermoFactory.h"
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#include "PDSS.h"
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#include "GeneralSpeciesThermo.h"
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using namespace std;
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namespace Cantera {
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class SpeciesThermo;
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VPSSMgr::VPSSMgr(VPStandardStateTP *vptp_ptr, SpeciesThermo *spthermo) :
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m_kk(0),
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m_vptp_ptr(vptp_ptr),
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m_spthermo(spthermo),
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m_tlast(-1.0),
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m_plast(-1.0),
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m_p0(-1.0),
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m_minTemp(-1.0),
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m_maxTemp(1.0E8),
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m_useTmpRefStateStorage(false),
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m_useTmpStandardStateStorage(false)
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{
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if (!m_vptp_ptr) {
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throw CanteraError("VPSSMgr",
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"null pointer for VPStandardStateTP is not permissible");
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}
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}
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VPSSMgr::~VPSSMgr()
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{
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}
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VPSSMgr::VPSSMgr(const VPSSMgr &right) :
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m_kk(0),
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m_vptp_ptr(0),
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m_spthermo(0),
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// m_Tnow(300.),
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// m_Pnow(OneAtm),
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m_tlast(-1.0),
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m_plast(-1.0),
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m_p0(-1.0),
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m_minTemp(-1.0),
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m_maxTemp(1.0E8),
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m_useTmpRefStateStorage(false),
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m_useTmpStandardStateStorage(false)
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{
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*this = right;
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}
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VPSSMgr&
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VPSSMgr::operator=(const VPSSMgr &right) {
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if (&right == this) {
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return *this;
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}
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m_kk = right.m_kk;
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m_vptp_ptr = right.m_vptp_ptr;
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m_spthermo = right.m_spthermo;
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// m_Tnow = right.m_Tnow;
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// m_Pnow = right.m_Pnow;
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m_tlast = -1.0;
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m_plast = -1.0;
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m_p0 = right.m_p0;
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m_minTemp = right.m_minTemp;
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m_maxTemp = right.m_maxTemp;
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m_useTmpRefStateStorage = right.m_useTmpRefStateStorage;
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m_h0_RT = right.m_h0_RT;
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m_cp0_R = right.m_cp0_R;
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m_g0_RT = right.m_g0_RT;
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m_s0_R = right.m_s0_R;
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m_V0 = right.m_V0;
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m_useTmpStandardStateStorage = right.m_useTmpStandardStateStorage;
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m_hss_RT = right.m_hss_RT;
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m_cpss_R = right.m_cpss_R;
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m_gss_RT = right.m_gss_RT;
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m_sss_R = right.m_sss_R;
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m_Vss = right.m_Vss;
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mPDSS_h0_RT = right.mPDSS_h0_RT;
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mPDSS_cp0_R = right.mPDSS_cp0_R;
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mPDSS_g0_RT = right.mPDSS_g0_RT;
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mPDSS_s0_R = right.mPDSS_s0_R;
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mPDSS_V0 = right.mPDSS_V0;
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mPDSS_hss_RT = right.mPDSS_hss_RT;
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mPDSS_cpss_R = right.mPDSS_cpss_R;
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mPDSS_gss_RT = right.mPDSS_gss_RT;
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mPDSS_sss_R = right.mPDSS_sss_R;
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mPDSS_Vss = right.mPDSS_Vss;
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return *this;
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}
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VPSSMgr *VPSSMgr::duplMyselfAsVPSSMgr() const {
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VPSSMgr *vp = new VPSSMgr(*this);
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return vp;
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}
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void VPSSMgr::initAllPtrs(VPStandardStateTP *vp_ptr,
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SpeciesThermo *sp_ptr) {
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m_vptp_ptr = vp_ptr;
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m_spthermo = sp_ptr;
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// Take care of STITTbyPDSS objects
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// Go see if the SpeciesThermo type is a GeneralSpeciesThermo
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GeneralSpeciesThermo * gst = dynamic_cast<GeneralSpeciesThermo *>(sp_ptr);
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if (gst) {
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for (int k = 0; k < m_kk; k++) {
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SpeciesThermoInterpType *st = gst->provideSTIT(k);
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STITbyPDSS * stpd = dynamic_cast<STITbyPDSS *>(st);
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if (stpd) {
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PDSS * PDSS_ptr = vp_ptr->providePDSS(k);
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stpd->initAllPtrs(k, this, PDSS_ptr);
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}
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}
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}
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}
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/*****************************************************************/
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// Standard States
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void
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VPSSMgr::getStandardChemPotentials(doublereal *mu) const{
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if (m_useTmpStandardStateStorage) {
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std::copy(m_gss_RT.begin(), m_gss_RT.end(), mu);
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doublereal _rt = GasConstant * m_tlast;
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scale(mu, mu+m_kk, mu, _rt);
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} else {
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err("getStandardChemPotentials");
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}
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}
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void
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VPSSMgr::getGibbs_RT(doublereal *grt) const{
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if (m_useTmpStandardStateStorage) {
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std::copy(m_gss_RT.begin(), m_gss_RT.end(), grt);
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} else {
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err("getGibbs_RT");
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}
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}
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void
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VPSSMgr::getEnthalpy_RT(doublereal *hrt) const{
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if (m_useTmpStandardStateStorage) {
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std::copy(m_hss_RT.begin(), m_hss_RT.end(), hrt);
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} else {
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err("getEnthalpy_RT");
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}
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}
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void
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VPSSMgr::getEntropy_R(doublereal *sr) const{
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if (m_useTmpStandardStateStorage) {
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std::copy(m_sss_R.begin(), m_sss_R.end(), sr);
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} else {
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err("getEntropy_RT");
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}
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}
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void
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VPSSMgr::getIntEnergy_RT(doublereal *urt) const{
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if (m_useTmpStandardStateStorage) {
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std::copy(m_hss_RT.begin(), m_hss_RT.end(), urt);
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doublereal pRT = m_plast / (GasConstant * m_tlast);
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for (int k = 0; k < m_kk; k++) {
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urt[k] -= pRT * m_Vss[k];
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}
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} else {
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err("getEntropy_RT");
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}
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}
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void
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VPSSMgr::getCp_R(doublereal *cpr) const{
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if (m_useTmpStandardStateStorage) {
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std::copy(m_cpss_R.begin(), m_cpss_R.end(), cpr);
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} else {
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err("getCp_R");
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}
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}
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void
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VPSSMgr::getStandardVolumes(doublereal *vol) const{
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if (m_useTmpStandardStateStorage) {
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std::copy(m_Vss.begin(), m_Vss.end(), vol);
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} else {
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err("getStandardVolumes");
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}
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}
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/*****************************************************************/
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void
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VPSSMgr::getEnthalpy_RT_ref(doublereal *hrt) const{
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if (m_useTmpRefStateStorage) {
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std::copy(m_h0_RT.begin(), m_h0_RT.end(), hrt);
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} else {
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err("getEnthalpy_RT_ref");
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}
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}
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void
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VPSSMgr::getGibbs_RT_ref(doublereal *grt) const{
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if (m_useTmpRefStateStorage) {
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std::copy(m_g0_RT.begin(), m_g0_RT.end(), grt);
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} else {
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err("getGibbs_RT_ref");
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}
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}
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void
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VPSSMgr::getGibbs_ref(doublereal *g) const{
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if (m_useTmpRefStateStorage) {
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std::copy(m_g0_RT.begin(), m_g0_RT.end(), g);
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doublereal _rt = GasConstant * m_tlast;
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scale(g, g+m_kk, g, _rt);
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} else {
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err("getGibbs_ref");
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}
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}
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void
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VPSSMgr::getEntropy_R_ref(doublereal *sr) const{
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if (m_useTmpRefStateStorage) {
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std::copy(m_s0_R.begin(), m_s0_R.end(), sr);
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} else {
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err("getEntropy_R_ref");
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}
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}
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void
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VPSSMgr::getCp_R_ref(doublereal *cpr) const{
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if (m_useTmpRefStateStorage) {
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std::copy(m_cp0_R.begin(), m_cp0_R.end(), cpr);
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} else {
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err("getCp_R_ref");
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}
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}
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void
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VPSSMgr::getStandardVolumes_ref(doublereal *vol) const{
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err("getStandardVolumes_ref");
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}
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/*****************************************************************/
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void VPSSMgr::setState_P(doublereal pres) {
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if (m_plast != pres) {
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m_plast = pres;
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_updateStandardStateThermo();
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}
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}
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void VPSSMgr::setState_T(doublereal temp) {
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if (m_tlast != temp) {
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m_tlast = temp;
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_updateRefStateThermo();
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_updateStandardStateThermo();
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}
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}
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void VPSSMgr::setState_TP(doublereal temp, doublereal pres) {
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if (m_tlast != temp) {
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m_tlast = temp;
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m_plast = pres;
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_updateRefStateThermo();
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_updateStandardStateThermo();
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} else if (m_plast != pres) {
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m_plast = pres;
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_updateStandardStateThermo();
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}
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}
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void VPSSMgr::updateStandardStateThermo() {
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}
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void VPSSMgr::updateRefStateThermo() const {
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}
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void VPSSMgr::_updateStandardStateThermo() {
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err("_updateStandardStateThermo()");
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}
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void VPSSMgr::_updateRefStateThermo() const {
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if (m_spthermo) {
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m_spthermo->update(m_tlast, &m_cp0_R[0], &m_h0_RT[0], &m_s0_R[0]);
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for (int k = 0; k < m_kk; k++) {
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m_g0_RT[k] = m_h0_RT[k] - m_s0_R[k];
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}
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}
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}
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/*****************************************************************/
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void
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VPSSMgr::initThermo() {
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initLengths();
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}
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void
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VPSSMgr::initLengths() {
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m_kk = m_vptp_ptr->nSpecies();
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m_h0_RT.resize(m_kk, 0.0);
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m_cp0_R.resize(m_kk, 0.0);
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m_g0_RT.resize(m_kk, 0.0);
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m_s0_R.resize(m_kk, 0.0);
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m_V0.resize(m_kk, 0.0);
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m_hss_RT.resize(m_kk, 0.0);
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m_cpss_R.resize(m_kk, 0.0);
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m_gss_RT.resize(m_kk, 0.0);
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m_sss_R.resize(m_kk, 0.0);
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m_Vss.resize(m_kk, 0.0);
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// Storage used by the PDSS objects to store their
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// answers.
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mPDSS_h0_RT.resize(m_kk, 0.0);
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mPDSS_cp0_R.resize(m_kk, 0.0);
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mPDSS_g0_RT.resize(m_kk, 0.0);
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mPDSS_s0_R.resize(m_kk, 0.0);
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mPDSS_V0.resize(m_kk, 0.0);
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mPDSS_hss_RT.resize(m_kk, 0.0);
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mPDSS_cpss_R.resize(m_kk, 0.0);
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mPDSS_gss_RT.resize(m_kk, 0.0);
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mPDSS_sss_R.resize(m_kk, 0.0);
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mPDSS_Vss.resize(m_kk, 0.0);
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}
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void VPSSMgr::initThermoXML(XML_Node& phaseNode, std::string id) {
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// Add a check to see that all references pressures are the same
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#ifdef DEBUG_MODE
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double m_p0_k;
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if (m_spthermo) {
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for (int k = 0; k < m_kk; k++) {
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m_p0_k = m_spthermo->refPressure(k);
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if (m_p0 != m_p0_k) {
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//throw CanteraError("VPSSMgr::initThermoXML",
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// "inconsistent ref pressures" + fp2str(m_p0) + " "
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// + fp2str(m_p0_k));
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// writelog("VPSSMgr::initThermoXML:"
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// "inconsistent ref pressures: " + fp2str(m_p0) + " "
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// + fp2str(m_p0_k) + " for SpeciesThermo k = " + int2str(k) + "\n");
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}
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}
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}
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for (int k = 0; k < m_kk; k++) {
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const PDSS *kPDSS = m_vptp_ptr->providePDSS(k);
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m_p0_k = kPDSS->refPressure();
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if (m_p0 != m_p0_k) {
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//throw CanteraError("VPSSMgr::initThermoXML",
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// "inconsistent ref pressures" + fp2str(m_p0) + " "
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// + fp2str(m_p0_k));
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//writelog("VPSSMgr::initThermoXML"
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// "inconsistent ref pressures: " + fp2str(m_p0) + " "
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// + fp2str(m_p0_k) + " for PDSS k = " + int2str(k) + "\n");
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}
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}
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#endif
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}
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void VPSSMgr::installSTSpecies(int k, const XML_Node& s,
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const XML_Node *phaseNode_ptr) {
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SpeciesThermoFactory* f = SpeciesThermoFactory::factory();
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f->installThermoForSpecies(k, s, *m_spthermo, phaseNode_ptr);
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if (m_p0 < 0.0) {
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m_p0 = m_spthermo->refPressure(k);
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}
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}
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PDSS * VPSSMgr::createInstallPDSS(int k, const XML_Node& s,
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const XML_Node *phaseNode_ptr) {
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err("VPSSMgr::createInstallPDSS");
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return (PDSS *) 0;
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}
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/*****************************************************************/
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doublereal VPSSMgr::minTemp(int k) const {
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return m_minTemp;
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}
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doublereal VPSSMgr::maxTemp(int k) const {
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return m_maxTemp;
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}
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doublereal VPSSMgr::refPressure() const {
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return m_p0;
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}
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PDSS_enumType VPSSMgr::reportPDSSType(int index) const {
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err("reportPDSSType()");
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return cPDSS_UNDEF;
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}
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VPSSMgr_enumType VPSSMgr::reportVPSSMgrType() const {
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err("reportVPSSType()");
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return cVPSSMGR_UNDEF;
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}
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/*****************************************************************/
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void VPSSMgr::err(std::string msg) const {
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throw CanteraError("VPSSMgr::" + msg, "unimplemented");
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}
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}
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