C++ ThermoPhase类代码示例

 status_t phase_setmassfractionsbyname_(const integer* n, char* y, ftnlen leny)
 {
     try {
         ThermoPhase* p = _fph(n);
         p->setMassFractionsByName(f2string(y, leny));
     } catch (...) {
         return handleAllExceptions(-1, ERR);
     }
     return 0;
 }

 status_t phase_getmassfractions_(const integer* n, doublereal* y)
 {
     try {
         ThermoPhase* p = _fph(n);
         p->getMassFractions(y);
     } catch (...) {
         return handleAllExceptions(-1, ERR);
     }
     return 0;
 }

 status_t phase_setmolefractionsbyname_(const integer* n, char* x, ftnlen lx)
 {
     try {
         ThermoPhase* p = _fph(n);
         p->setMoleFractionsByName(f2string(x, lx));
     } catch (...) {
         return handleAllExceptions(-1, ERR);
     }
     return 0;
 }

 status_t phase_setmassfractionsbyname_(const integer* n, char* y, ftnlen leny)
 {
     try {
         ThermoPhase* p = _fph(n);
         compositionMap yy = parseCompString(f2string(y, leny), p->speciesNames());
         p->setMassFractionsByName(yy);
     } catch (...) {
         return handleAllExceptions(-1, ERR);
     }
     return 0;
 }

 status_t phase_getmolecularweights_(const integer* n, doublereal* mw)
 {
     try {
         ThermoPhase* p = _fph(n);
         const vector_fp& wt = p->molecularWeights();
         copy(wt.begin(), wt.end(), mw);
     } catch (...) {
         return handleAllExceptions(-1, ERR);
     }
     return 0;
 }

 status_t phase_setmolefractionsbyname_(const integer* n, char* x, ftnlen lx)
 {
     try {
         ThermoPhase* p = _fph(n);
         compositionMap xx = parseCompString(f2string(x, lx), p->speciesNames());
         p->setMoleFractionsByName(xx);
     } catch (...) {
         return handleAllExceptions(-1, ERR);
     }
     return 0;
 }

 status_t DLL_EXPORT phase_setmolefractionsbyname_(const integer* n, char* x, ftnlen lx) {
     try {
         ThermoPhase* p = _fph(n);
         compositionMap xx;
         int nsp = p->nSpecies();
         for (int nn = 0; nn < nsp; nn++) {
             xx[p->speciesName(nn)] = -1;
         }
         parseCompString(f2string(x, lx), xx);
         p->setMoleFractionsByName(xx);
         return 0;
     }
     catch (CanteraError) {handleError(); return -1;}
 }

  //====================================================================================================================
  void Kinetics::assignShallowPointers(const std::vector<thermo_t*> & tpVector) {
    size_t ns = tpVector.size();
    if (ns != m_thermo.size()) {
      throw CanteraError(" Kinetics::assignShallowPointers",
			 " Number of ThermoPhase objects arent't the same");
    }
    for (size_t i = 0; i < ns; i++) {
      ThermoPhase *ntp = tpVector[i];
      ThermoPhase *otp = m_thermo[i];
      if (ntp->id() != otp->id()) {
	throw CanteraError(" Kinetics::assignShallowPointers",
			   " id() of the ThermoPhase objects isn't the same");
      }
      if (ntp->eosType() != otp->eosType()) {
	throw CanteraError(" Kinetics::assignShallowPointers",
			   " eosType() of the ThermoPhase objects isn't the same");
      }
      if (ntp->nSpecies() != otp->nSpecies()) {
	throw CanteraError(" Kinetics::assignShallowPointers",
			   " Number of ThermoPhase objects isn't the same");
      }
      m_thermo[i] = tpVector[i];
    }


  }

 status_t phase_setmolefractions_(const integer* n, double* x, const integer* norm)
 {
     try {
         ThermoPhase* p = _fph(n);
         if (*norm) {
             p->setMoleFractions(x);
         } else {
             p->setMoleFractions_NoNorm(x);
         }
     } catch (...) {
         return handleAllExceptions(-1, ERR);
     }
     return 0;
 }

 status_t DLL_EXPORT phase_setmassfractionsbyname_(const integer* n, char* y, ftnlen leny) {
     try {
         ThermoPhase* p = _fph(n);
         compositionMap yy;
         int nsp = p->nSpecies();
         for (int nn = 0; nn < nsp; nn++) {
             yy[p->speciesName(nn)] = -1;
         }
         parseCompString(f2string(y, leny), yy);
         p->setMassFractionsByName(yy);
         return 0;
     }
     catch (CanteraError) {handleError(); return -1;}
 }

 status_t phase_setmassfractions_(const integer* n, doublereal* y, const integer* norm)
 {
     try {
         ThermoPhase* p = _fph(n);
         if (*norm) {
             p->setMassFractions(y);
         } else {
             p->setMassFractions_NoNorm(y);
         }
     } catch (...) {
         return handleAllExceptions(-1, ERR);
     }
     return 0;
 }

// The actual code is put into a function that
// can be called from the main program.
void simple_demo() {

    // Create a new phase 
    ThermoPhase* gas = newPhase("h2o2.cti","ohmech");

    // Set its state by specifying T (500 K) P (2 atm) and the mole
    // fractions. Note that the mole fractions do not need to sum to
    // 1.0 - they will be normalized internally. Also, the values for
    // any unspecified species will be set to zero.
    gas->setState_TPX(500.0, 2.0*OneAtm, "H2O:1.0, H2:8.0, AR:1.0");

    // Print a summary report of the state of the gas
    cout << report(*gas) << endl;

    //  Clean up
    delete gas;
}

void IdealGasReactor::setThermoMgr(ThermoPhase& thermo)
{
    //! @TODO: Add a method to ThermoPhase that indicates whether a given
    //! subclass is compatible with this reactor model
    if (thermo.eosType() != cIdealGas) {
        throw CanteraError("IdealGasReactor::setThermoMgr",
                           "Incompatible phase type provided");
    }
    Reactor::setThermoMgr(thermo);
}

int main(int argc, char** argv)
{
#ifdef _MSC_VER
    _set_output_format(_TWO_DIGIT_EXPONENT);
#endif
    try {
        IdealSolnGasVPSS gg("silane.xml", "silane");
        ThermoPhase* g = ≫
        cout.precision(4);
        g->setState_TPX(1500.0, 100.0, "SIH4:0.01, H2:0.99");
        g->equilibrate("TP");
        cout << g->report(true, 0.0) << endl;
        return 0;
    } catch (CanteraError& err) {
        std::cerr << err.what() << std::endl;
        cerr << "program terminating." << endl;
        return -1;
    }
}

int main(int argc, char **argv)
{

  int retn = 0;
  int i;
 
  try {

    char iFile[80];
    strcpy(iFile, "HMW_NaCl.xml");
    if (argc > 1) {
      strcpy(iFile, argv[1]);
    }
    double Cp0_R[20], pmCp[20];

    //fileLog *fl = new fileLog("HMW_graph_1.log");
    //setLogger(fl);

    HMWSoln *HMW = new HMWSoln(iFile, "NaCl_electrolyte");


    /*
     * Load in and initialize the 
     */
    Cantera::ThermoPhase *solid = newPhase("NaCl_Solid.xml","NaCl(S)");
 
     
    int nsp = HMW->nSpecies();
    double acMol[100]; 
    double act[100];
    double mf[100];
    double moll[100];
    for (i = 0; i < 100; i++) {
      acMol[i] = 1.0;
      act[i] = 1.0;
      mf[i] = 0.0;
      act[i] = 0.0;
    }

    HMW->getMoleFractions(mf);
    string sName;

    TemperatureTable TTable(15, false, 273.15, 25., 0, 0);


    HMW->setState_TP(298.15, 1.01325E5);
  
    int i1 = HMW->speciesIndex("Na+");
    int i2 = HMW->speciesIndex("Cl-");
    //int i3 = HMW->speciesIndex("H2O(L)");
    for (i = 0; i < nsp; i++) {
      moll[i] = 0.0;
    }
    HMW->setMolalities(moll);

    double ISQRT;
    double Is = 0.0;

    /*
     * Set the Pressure
     */
    double pres = OneAtm;

    /*
     * Fix the molality
     */
    Is = 6.146;
    ISQRT = sqrt(Is);
    moll[i1] = Is;
    moll[i2] = Is;
    HMW->setState_TPM(298.15, pres, moll);
    double Xmol[30];
    HMW->getMoleFractions(Xmol);

    ThermoPhase *hmwtb = (ThermoPhase *)HMW;
    
    ThermoPhase *hmwtbDupl = hmwtb->duplMyselfAsThermoPhase();
    //ThermoPhase *hmwtbDupl = 0;
    HMWSoln *HMW1 = HMW;
    HMWSoln *HMW2 = dynamic_cast<HMWSoln *>(hmwtbDupl);

    for (int itherms = 0; itherms < 2; itherms++) {
      if (itherms ==0) {
	HMW = HMW1;
      } else {
	HMW = HMW2;
      }

      /*
       * ThermoUnknowns
       */
      double T;
 
      double Cp0_NaCl = 0.0, Cp0_Naplus = 0.0, Cp0_Clminus = 0.0, Delta_Cp0s = 0.0, Cp0_H2O = 0.0;
      double Cp_NaCl = 0.0, Cp_Naplus = 0.0, Cp_Clminus = 0.0, Cp_H2O = 0.0;
      double molarCp0;
#ifdef DEBUG_HKM
      FILE *ttt;
      if (itherms ==0) {
	ttt = fopen("table1.csv","w");
//.........这里部分代码省略.........