cantera/Cantera/fortran/f77demos/demo_ftnlib.cpp

/*!
      A simple Fortran 77 interface

 This file is an example of how to write an interface to use Cantera
 in Fortran 77 programs. The basic idea is to store pointers to
 Cantera objects in global storage, and then create Fortran-callable
 functions that access the objects through the pointers.

 This particular example defines functions that return thermodynamic
 properties, transport properties, and kinetic rates for reacting
 ideal gas mixtures. Only a single pointer to an IdealGasMix object is
 stored, so only one reaction mechanism may be used at any one time in
 the application.  Of course, it is a simple modification to store
 multiple objects if it is desired to use multiple reaction
 mechanisms.

 The functions defined here are ones commonly needed in application
 programs that simulate gas-phase combustion or similar
 processes. Similar libraries to access other capabilities of Cantera
 (surface chemistry, etc.) could be written in the same way.

 This library is designed for Fortran compilers that expect external
 procedure na,es to be lowercase with a trailing underscore. If this
 is not the case, the procedure names must be edited before use.

 */

// add any other Cantera header files you need here
#include <cantera/Cantera.h>
#include <cantera/IdealGasMix.h>

using namespace Cantera;

// store a pointer to an IdealGasMix object
static IdealGasMix* _gas = 0;

// provides access to the pointers for functions in other libraries
IdealGasMix* _gasptr()
{
  return _gas;
}

// comment these out to produce a smaller executable if not needed
#define WITH_EQUIL
#define WITH_TRANSPORT

#ifdef WITH_EQUIL
#include <cantera/equilibrium.h>
#endif


#ifdef WITH_TRANSPORT
#include <cantera/transport.h>

// store a pointer to a transport manager
static Transport* _trans = 0;
Transport* _transptr()
{
  return _trans;
}
#endif

// error handler
void handleError()
{
  showErrors(cout);
  exit(-1);
}

// extern "C" turns off C++ name-mangling, so that the procedure names
// in the object file are exactly as shown here.

extern "C" {

  /// This is the Fortran main program. This works for g77; it may
  /// need to be modified for other Fortran compilers
#ifdef NEED_ALT_MAIN
  extern int MAIN__();
#endif

  /**
   * Read in a reaction mechanism file and create an IdealGasMix
   * object. The file may be in Cantera input format or in CTML. (If
   * you have a file in Chemkin-compatible format, use utility
   * program ck2cti first to convert it into Cantera format.)
   */
  void newidealgasmix_(char* file, char* id, char* transport,
                       ftnlen lenfile, ftnlen lenid, ftnlen lentr)
  {
    string trmodel = "";
    try {
      string fin = string(file, lenfile);
      string fth = string(id, lenid);
      trmodel = string(transport, lentr);
      if (_gas) delete _gas;
      _gas = new IdealGasMix(fin, fth);
    } catch (CanteraError) {
      handleError();
    }
#ifdef WITH_TRANSPORT
    try {
      if (_trans) delete _trans;
      _trans = newTransportMgr(trmodel,_gas,1);
    } catch (CanteraError) {
      _trans =  newTransportMgr("",_gas,1);
    }
#endif
  }

  ///   integer function nElements()
  integer nelements_()
  {
    return _gas->nElements();
  }

  /// integer function nSpecies()
  integer nspecies_()
  {
    return _gas->nSpecies();
  }

  /// integer function nReactions()
  integer nreactions_()
  {
    return _gas->nReactions();
  }

  void getspeciesname_(integer* k, char* name, ftnlen n)
  {
    int ik = *k - 1;
    fill(name, name + n, ' ');
    string spnm = _gas->speciesName(ik);
    int ns = spnm.size();
    unsigned int nmx = (ns > n ? n : ns);
    copy(spnm.begin(), spnm.begin()+nmx, name);
  }

  //-------------- setting the state ----------------------------

  /// subroutine setState_TPX(T, P, X)
  void setstate_tpx_(doublereal* T, doublereal* P, doublereal* X)
  {
    try {
      _gas->setState_TPX(*T, *P, X);
    } catch (CanteraError) {
      handleError();
    }
  }

  /// subroutine setState_TPX_String(T, P, X)
  void setstate_tpx_string_(doublereal* T, doublereal* P,
                            char* X, ftnlen lenx)
  {
    try {
      _gas->setState_TPX(*T, *P, string(X, lenx));
    } catch (CanteraError) {
      handleError();
    }
  }

  void setstate_try_(doublereal* T, doublereal* rho, doublereal* Y)
  {
    try {
      _gas->setState_TRY(*T, *rho, Y);
    } catch (CanteraError) {
      handleError();
    }
  }

  void setstate_tpy_(doublereal* T, doublereal* p, doublereal* Y)
  {
    try {
      _gas->setState_TPY(*T, *p, Y);
    } catch (CanteraError) {
      handleError();
    }
  }

  void setstate_sp_(doublereal* s, doublereal* p)
  {
    try {
      _gas->setState_SP(*s, *p);
    } catch (CanteraError) {
      handleError();
    }
  }

  //-------------- thermodynamic properties ----------------------

  /// Temperature (K)
  doublereal temperature_()
  {
    return _gas->temperature();
  }

  /// Pressure (Pa)
  doublereal pressure_()
  {
    return _gas->pressure();
  }

  /// Density (kg/m^3)
  doublereal density_()
  {
    return _gas->density();
  }

  /// Mean molar mass (kg/kmol).
  doublereal meanmolarmass_()
  {
    return _gas->meanMolecularWeight();
  }

  /// Molar enthalpy (J/kmol)
  doublereal enthalpy_mole_()
  {
    return _gas->enthalpy_mole();
  }

  /// Molar internal energy (J/kmol)
  doublereal intenergy_mole_()
  {
    return _gas->intEnergy_mole();
  }

  /// Molar entropy (J/kmol-K)
  doublereal entropy_mole_()
  {
    return _gas->entropy_mole();
  }

  /// Molar heat capacity at constant P (J/kmol-K)
  doublereal cp_mole_()
  {
    return _gas->cp_mole();
  }

  /// Molar Gibbs function (J/kmol)
  doublereal gibbs_mole_()
  {
    return _gas->gibbs_mole();
  }

  doublereal enthalpy_mass_()
  {
    return _gas->enthalpy_mass();
  }

  doublereal intenergy_mass_()
  {
    return _gas->intEnergy_mass();
  }

  doublereal entropy_mass_()
  {
    return _gas->entropy_mass();
  }

  doublereal cp_mass_()
  {
    return _gas->cp_mass();
  }

  doublereal cv_mass_()
  {
    return _gas->cv_mass();
  }

  doublereal gibbs_mass_()
  {
    return _gas->gibbs_mass();
  }

  void gotmolefractions_(doublereal* x)
  {
    _gas->getMoleFractions(x);
  }

  void gotmassfractions_(doublereal* y)
  {
    _gas->getMassFractions(y);
  }

#ifdef WITH_EQUIL
  void equilibrate_(char* opt, ftnlen lenopt)
  {
    try {
      if (lenopt != 2) {
        throw CanteraError("equilibrate",
                           "two-character string required.");
      }
      string optstr = string(opt, 2);
      equilibrate(*_gas, optstr.c_str());
    } catch (CanteraError) {
      handleError();
    }
  }
#endif

  //---------------- kinetics -------------------------

  void getreactioneqn_(integer* i, char* eqn, ftnlen n)
  {
    int irxn = *i - 1;
    fill(eqn, eqn + n, ' ');
    string e = _gas->reactionString(irxn);
    int ns = e.size();
    unsigned int nmx = (ns > n ? n : ns);
    copy(e.begin(), e.begin()+nmx, eqn);
  }

  void getnetproductionrates_(doublereal* wdot)
  {
    _gas->getNetProductionRates(wdot);
  }

  void getcreationrates_(doublereal* cdot)
  {
    _gas->getCreationRates(cdot);
  }

  void getdestructionrates_(doublereal* ddot)
  {
    _gas->getDestructionRates(ddot);
  }

  void getnetratesofprogress_(doublereal* q)
  {
    _gas->getNetRatesOfProgress(q);
  }

  void getfwdratesofprogress_(doublereal* q)
  {
    _gas->getFwdRatesOfProgress(q);
  }

  void getrevratesofprogress_(doublereal* q)
  {
    _gas->getRevRatesOfProgress(q);
  }

  //-------------------- transport properties --------------------

#ifdef WITH_TRANSPORT
  double viscosity_()
  {
    try {
      return _trans->viscosity();
    } catch (CanteraError) {
      handleError();
      return 0.0;
    }
  }

  double thermalconductivity_()
  {
    try {
      return _trans->thermalConductivity();
    } catch (CanteraError) {
      handleError();
      return 0.0;
    }
  }

  void getmixdiffcoeffs_(double* diff)
  {
    try {
      _trans->getMixDiffCoeffs(diff);
    } catch (CanteraError) {
      handleError();
    }
  }

  void getthermaldiffcoeffs_(double* dt)
  {
    try {
      _trans->getThermalDiffCoeffs(dt);
    } catch (CanteraError) {
      handleError();
    }
  }
#endif

}

/*
 *  HKM 7/22/09:
 *    I'm skeptical that you need this for any system.
 *    Definately creates an error (dupl main()) for the solaris
 *    system
 */
#ifdef NEED_ALT_MAIN
/**
 * This C++ main program simply calls the Fortran main program.
 */
int main()
{
  try {
    return MAIN__();
  } catch (CanteraError) {
    showErrors(cerr);
    exit(-1);
  } catch (...) {
    cout << "An exception was trapped. Program terminating." << endl;
    exit(-1);
  }
}
#endif