/**
 *  @file ISSPTester.cpp
 *
 *  $Id: ISSPTester.cpp,v 1.2 2008/12/17 17:31:12 hkmoffa Exp $
 */
/*
 * Copywrite 2004 Sandia Corporation. Under the terms of Contract
 * DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government
 * retains certain rights in this software.
 * See file License.txt for licensing information.
 */

//  Example 
//
//  Read a mechanism and a thermodynamics file for the 
//  class IdealSolidSolnPhase in order to test that it's
//  working correctly
//



#include <iostream>
#include <string>
#include <vector>


#include "Cantera.h"
#include "kernel/IdealSolidSolnPhase.h"
#include "kernel/IdealSolnGasVPSS.h"

#include <cstdio>

using namespace std;

#ifdef DEBUG_HKM
int iDebug_HKM = 0;
#endif

/*****************************************************************/
/*****************************************************************/
/*****************************************************************/
static void printUsage()
{

}


using namespace Cantera;

int main(int argc, char** argv) {
  string infile;  
  // look for command-line options
  if (argc > 1) {
    string tok;
    for (int j = 1; j < argc; j++) {
      tok = string(argv[j]);
      if (tok[0] == '-') {
	int nopt = tok.size();
	for (int n = 1; n < nopt; n++) {
	  if (tok[n] == 'h') {
	    printUsage();
	    exit(0);
	  } else {
	    printUsage();
	    exit(1);
	  }
	}
      } else if (infile == "") {
	infile = tok;
      }
      else {
	printUsage();
	exit(1);
      }
    }
  }
 
  try {
    double Tkelvin = 1200.;
    IdealSolnGasVPSS issp("IdealSolidSolnPhaseExample.xml");
    issp.setState_TPX(Tkelvin, OneAtm,
		      "C2H2-graph:0.3, C-graph:0.6, H2-solute:0.1");
    double hm = issp.enthalpy_mole();
    printf("molar enthalpy   = %13.5g J kg-1\n", hm);

    double um = issp.intEnergy_mole();
    printf("molar intEnergy  = %13.5g J kg-1\n", um);
     

    double sm = issp.entropy_mole();
    printf("molar entropy    = %13.5g J kg-1 K-1\n", sm);

    double gm = issp.gibbs_mole();
    printf("molar gibbs      = %13.5g J kg-1\n", gm);

    double cpm = issp.cp_mole();
    printf("molar Cp         = %13.5g J kg-1 K-1\n", cpm);

    double dens = issp.density();
    printf("mixture density = %13.5g kg m-3\n", dens);

    double mdens = issp.molarDensity();
    printf("molar density = %13.5g kmol m-3\n", mdens);

    double mmw = issp.meanMolecularWeight();
    printf("mean molecular weight = %13.5g kg kmol-1\n", mmw);

    int n = issp.nSpecies();
      
    double HiSS[20], muiSS[20],SiSS[20], CpiSS[20], VoliSS[20];
    double RT = GasConstant * Tkelvin;
    issp.getStandardChemPotentials(muiSS);
    issp.getEnthalpy_RT(HiSS);
    issp.getEntropy_R (SiSS);
    issp.getCp_R(CpiSS);
    issp.getStandardVolumes(VoliSS);


    for (int i = 0; i < n; i++) {
      HiSS[i] *= RT;
      SiSS[i] *= RT;
      CpiSS[i] *= GasConstant;
    }
      
    printf(" Printout of standard state properties\n");
    printf("            Name         mu_i       H_i_SS   "
	   "    S_i_SS      Cp_i_SS     Vol_i_SS\n");
    for (int i = 0; i < n; i++) {
      string sn = issp.speciesName(i);
      printf(" %15s %12.5g %12.5g %12.5g %12.5g %12.5g\n", sn.c_str(), muiSS[i], 
	     HiSS[i], SiSS[i], CpiSS[i], VoliSS[i]);
    }


   
    double HiPM[20], mui[20],SiPM[20], CpiPM[20], VoliPM[20];
   
    issp.getChemPotentials(mui);
    issp.getPartialMolarEnthalpies(HiPM);
    issp.getPartialMolarEntropies(SiPM);
    issp.getPartialMolarCp(CpiPM);
    issp.getPartialMolarVolumes(VoliPM);
    printf(" Printout of Partial molar properties\n");
    printf("            Name         mu_i       H_i_PM   "
	   "    S_i_PM      Cp_i_PM     Vol_i_PM\n");
    for (int i = 0; i < n; i++) {
      string sn = issp.speciesName(i);
      printf(" %15s %12.5g %12.5g %12.5g %12.5g %12.5g\n", sn.c_str(), mui[i], 
	     HiPM[i], SiPM[i], CpiPM[i], VoliPM[i]);
    }
  }
  catch (CanteraError) {
    showErrors(cout);
  }

  return 0;
}
/***********************************************************/