VPSSMgr_IdealGas.cpp

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/**
 *  @file VPSSMgr_IdealGas.cpp
 * Definition file for a derived class that handles the calculation
 * of standard state thermo properties for
 *  a set of species which have an Ideal Gas dependence 
 * (see \ref thermoprops and
 * class \link Cantera::VPSSMgr_IdealGas VPSSMgr_IdealGas\endlink).
 */
/*
 * Copywrite (2005) Sandia Corporation. Under the terms of 
 * Contract DE-AC04-94AL85000 with Sandia Corporation, the
 * U.S. Government retains certain rights in this software.
 */
/*
 *  $Author: hkmoffa $
 *  $Date: 2009-12-05 14:08:43 -0500 (Sat, 05 Dec 2009) $
 *  $Revision: 279 $
 */

// turn off warnings under Windows
#ifdef WIN32
#pragma warning(disable:4786)
#pragma warning(disable:4503)
#endif

#include "VPSSMgr_IdealGas.h"
#include "utilities.h"
#include "xml.h"
#include "ctml.h"
#include "SpeciesThermoFactory.h"
#include "PDSS_IdealGas.h"

using namespace std;
using namespace ctml;

namespace Cantera {

  VPSSMgr_IdealGas::VPSSMgr_IdealGas(VPStandardStateTP *vp_ptr, SpeciesThermo *spth) :
    VPSSMgr(vp_ptr, spth)
  {
    m_useTmpRefStateStorage = true;
    m_useTmpStandardStateStorage = true;
  }


  VPSSMgr_IdealGas::~VPSSMgr_IdealGas() 
  {
  }

  VPSSMgr_IdealGas::VPSSMgr_IdealGas(const VPSSMgr_IdealGas &right) :
    VPSSMgr(right.m_vptp_ptr, right.m_spthermo)
  {
    m_useTmpRefStateStorage = true;
    m_useTmpStandardStateStorage = true;
    *this = right;
  }


  VPSSMgr_IdealGas& VPSSMgr_IdealGas::operator=(const VPSSMgr_IdealGas &b) 
  {
    if (&b == this) return *this;
    VPSSMgr::operator=(b);
    return *this;
  }

  VPSSMgr *VPSSMgr_IdealGas::duplMyselfAsVPSSMgr() const {
    VPSSMgr_IdealGas *vpm = new VPSSMgr_IdealGas(*this);
    return (VPSSMgr *) vpm;
  }


  void VPSSMgr_IdealGas::getIntEnergy_RT(doublereal* urt) const {
    getEnthalpy_RT(urt);
    for (int k = 0; k < m_kk; k++) {
      urt[k] -= 1.0;
    }
  }

  void VPSSMgr_IdealGas::getStandardVolumes(doublereal* vol) const
  {
    copy(m_Vss.begin(), m_Vss.end(), vol);
  }

  void VPSSMgr_IdealGas::_updateStandardStateThermo() {
    
    doublereal pp = log(m_plast / m_p0);
    doublereal v = temperature() *GasConstant /m_plast;

    for (int k = 0; k < m_kk; k++) {
      m_hss_RT[k]  = m_h0_RT[k];
      m_cpss_R[k] = m_cp0_R[k];
      m_sss_R[k]    = m_s0_R[k] - pp;
      m_gss_RT[k] = m_hss_RT[k] - m_sss_R[k];
      m_Vss[k] = v;
    }
  }

  void 
  VPSSMgr_IdealGas::initThermoXML(XML_Node& phaseNode, std::string id) {
    VPSSMgr::initThermoXML(phaseNode, id);  
  }

  PDSS *
  VPSSMgr_IdealGas::createInstallPDSS(int k, const XML_Node& speciesNode,  
                                      const XML_Node * const phaseNode_ptr) {
    //VPSSMgr::installSpecies(k, speciesNode, phaseNode_ptr);
    const XML_Node *ss = speciesNode.findByName("standardState");
    if (ss) {
      std::string model = (*ss)["model"];
      if (model != "ideal_gas") {
        throw CanteraError("VPSSMgr_IdealGas::initThermoXML",
                           "standardState model for species isn't "
                           "ideal_gas: " + speciesNode.name());
      }
    }
    if ((int) m_Vss.size() < k+1) {
      m_Vss.resize(k+1, 0.0);
    }

    SpeciesThermoFactory* f = SpeciesThermoFactory::factory();
    f->installThermoForSpecies(k, speciesNode,(ThermoPhase *) m_vptp_ptr, *m_spthermo, phaseNode_ptr);

    PDSS *kPDSS = new PDSS_IdealGas(m_vptp_ptr, k, speciesNode,  
                                    *phaseNode_ptr, true);

    m_p0 = m_spthermo->refPressure(k);
    return kPDSS;
  }


  PDSS_enumType VPSSMgr_IdealGas::reportPDSSType(int k) const {
    return cPDSS_IDEALGAS;
  }


  VPSSMgr_enumType VPSSMgr_IdealGas::reportVPSSMgrType() const {
    return cVPSSMGR_IDEALGAS;
  }

}