Wrapper class for Antioch::ChemicalMixture. More...

#include <antioch_chemistry.h>

Inheritance diagram for GRINS::AntiochChemistry:

Public Member Functions
	AntiochChemistry (const GetPot &input)

virtual	~AntiochChemistry ()

libMesh::Real	M (unsigned int species) const
	Species molar mass (molecular weight), [kg/mol]. More...

libMesh::Real	M_mix (const std::vector< libMesh::Real > &mass_fractions) const
	Mixture molar mass (molecular weight), [kg/mol]. More...

libMesh::Real	R (unsigned int species) const
	Species gas constant, [J/kg-K]. More...

libMesh::Real	R_mix (const std::vector< libMesh::Real > &mass_fractions) const
	Mixture gas constant, [J/kg-K]. More...

libMesh::Real	X (unsigned int species, libMesh::Real M, libMesh::Real mass_fraction) const
	Species mole fraction, unitless. More...

void	X (libMesh::Real M, const std::vector< libMesh::Real > &mass_fractions, std::vector< libMesh::Real > &mole_fractions) const
	Mole fraction for all species, unitless. More...

libMesh::Real	molar_density (const unsigned int species, const libMesh::Real rho, const libMesh::Real mass_fraction) const
	Species molar density, [mol/m^3]. More...

void	molar_densities (const libMesh::Real rho, const std::vector< libMesh::Real > &mass_fractions, std::vector< libMesh::Real > &molar_densities) const
	Molar density for all species, [mol/m^3]. More...

unsigned int	n_species () const

unsigned int	species_index (const std::string &species_name) const

std::string	species_name (unsigned int species_index) const

const Antioch::ChemicalMixture< libMesh::Real > &	chemical_mixture () const
	Accessor to underlying Antioch object. More...

const AntiochChemistry &	chemistry () const
	Accessor for this class. More...

Protected Attributes
boost::scoped_ptr< Antioch::ChemicalMixture< libMesh::Real > >	_antioch_gas

Private Member Functions
	AntiochChemistry ()

Detailed Description

Wrapper class for Antioch::ChemicalMixture.

This class is expected to be constructed before threads have been forked and will live during the whole program. By default, Antioch is working in SI units. Note that this documentation will always be built regardless if Antioch is included in the GRINS build or not. Check configure output to confirm that Antioch was included in the build.

Definition at line 60 of file antioch_chemistry.h.

Constructor & Destructor Documentation

GRINS::AntiochChemistry::AntiochChemistry ( const GetPot & input )

Definition at line 38 of file antioch_chemistry.C.

References _antioch_gas, and n_species().

     : _antioch_gas(NULL)
   {
     if( !input.have_variable("Physics/Chemistry/species") )
       {
         std::cerr << "Error: Must specify species list to use Antioch." << std::endl;
         libmesh_error();
       }
 
     unsigned int n_species = input.vector_variable_size("Physics/Chemistry/species");
     std::vector<std::string> species_list(n_species);
 
     for( unsigned int s = 0; s < n_species; s++ )
       {
         species_list[s] = input( "Physics/Chemistry/species", "DIE!", s );
       }
 
     _antioch_gas.reset( new Antioch::ChemicalMixture<libMesh::Real>( species_list ) );
 
     return;
   }

GRINS::AntiochChemistry::~AntiochChemistry ( )

virtual

Definition at line 60 of file antioch_chemistry.C.

   {
     return;
   }

GRINS::AntiochChemistry::AntiochChemistry ( )

private

Member Function Documentation

const Antioch::ChemicalMixture< libMesh::Real > & GRINS::AntiochChemistry::chemical_mixture ( ) const

inline

Accessor to underlying Antioch object.

Definition at line 178 of file antioch_chemistry.h.

References _antioch_gas.

Referenced by GRINS::AntiochEvaluator< Thermo >::specialized_build_thermo().

   {
     return *_antioch_gas.get();
   }

const AntiochChemistry & GRINS::AntiochChemistry::chemistry ( ) const

inline

Accessor for this class.

Definition at line 201 of file antioch_chemistry.h.

   {
     return *this;
   }

libMesh::Real GRINS::AntiochChemistry::M ( unsigned int species ) const

inline

Species molar mass (molecular weight), [kg/mol].

Definition at line 122 of file antioch_chemistry.h.

References _antioch_gas.

   {
     return _antioch_gas->M(species);
   }

libMesh::Real GRINS::AntiochChemistry::M_mix ( const std::vector< libMesh::Real > & mass_fractions ) const

inline

Mixture molar mass (molecular weight), [kg/mol].

Definition at line 128 of file antioch_chemistry.h.

References _antioch_gas.

Referenced by main().

   {
     return _antioch_gas->M(mass_fractions);
   }

void GRINS::AntiochChemistry::molar_densities	(	const libMesh::Real	rho,
		const std::vector< libMesh::Real > &	mass_fractions,
		std::vector< libMesh::Real > &	molar_densities
	)		const

inline

Molar density for all species, [mol/m^3].

Definition at line 192 of file antioch_chemistry.h.

References _antioch_gas.

Referenced by GRINS::AntiochKinetics::omega_dot().

   {
     _antioch_gas->molar_densities( rho, mass_fractions, molar_densities );
     return;
   }

libMesh::Real GRINS::AntiochChemistry::molar_density	(	const unsigned int	species,
		const libMesh::Real	rho,
		const libMesh::Real	mass_fraction
	)		const

inline

Species molar density, [mol/m^3].

Definition at line 184 of file antioch_chemistry.h.

References _antioch_gas.

   {
     return _antioch_gas->molar_density( species, rho, mass_fraction );
   }

unsigned int GRINS::AntiochChemistry::n_species ( ) const

inline

Definition at line 162 of file antioch_chemistry.h.

References _antioch_gas.

Referenced by AntiochChemistry(), GRINS::AntiochMixture::build_stat_mech_ref_correction(), do_transport_eval(), main(), and GRINS::AntiochKinetics::omega_dot().

   {
     return _antioch_gas->n_species();
   }

libMesh::Real GRINS::AntiochChemistry::R ( unsigned int species ) const

inline

Species gas constant, [J/kg-K].

R_universal/M(species)

Definition at line 134 of file antioch_chemistry.h.

References _antioch_gas.

   {
     return _antioch_gas->R(species);
   }

libMesh::Real GRINS::AntiochChemistry::R_mix ( const std::vector< libMesh::Real > & mass_fractions ) const

inline

Mixture gas constant, [J/kg-K].

Definition at line 140 of file antioch_chemistry.h.

References _antioch_gas.

Referenced by main(), and test_evaluator().

   {
     return _antioch_gas->R(mass_fractions);
   }

unsigned int GRINS::AntiochChemistry::species_index ( const std::string & species_name ) const

inline

Definition at line 168 of file antioch_chemistry.h.

References _antioch_gas.

   {
 #if ANTIOCH_MAJOR_VERSION < 1 && ANTIOCH_MINOR_VERSION < 3
     return _antioch_gas->active_species_name_map().find(species_name)->second;
 #else
     return _antioch_gas->species_name_map().find(species_name)->second;
 #endif
   }

std::string GRINS::AntiochChemistry::species_name ( unsigned int species_index ) const

Definition at line 65 of file antioch_chemistry.C.

References _antioch_gas.

Referenced by do_transport_eval(), main(), and test_evaluator().

   {
     libmesh_assert_less(species_index, _antioch_gas->n_species());
 
 #if ANTIOCH_MAJOR_VERSION < 1 && ANTIOCH_MINOR_VERSION < 3
     std::string name = "dummy";
 
     for( std::map<std::string,unsigned int>::const_iterator it = _antioch_gas->active_species_name_map().begin();
          it != _antioch_gas->active_species_name_map().end(); it++ )
       {
         if( it->second == species_index )
           {
             name = it->first;
           }
       }
 
     if( name == std::string("dummy") )
       {
         std::cerr << "Error: Could not find a species name for the given index!"
                   << std::endl;
         libmesh_error();
       }
 
     return name;
 #else
     return _antioch_gas->species_inverse_name_map().find(species_index)->second;
 #endif
   }

libMesh::Real GRINS::AntiochChemistry::X	(	unsigned int	species,
		libMesh::Real	M,
		libMesh::Real	mass_fraction
	)		const

inline

Species mole fraction, unitless.

Definition at line 146 of file antioch_chemistry.h.

References _antioch_gas.

Referenced by main().

   {
     return _antioch_gas->X(species,M,mass_fraction);
   }

void GRINS::AntiochChemistry::X	(	libMesh::Real	M,
		const std::vector< libMesh::Real > &	mass_fractions,
		std::vector< libMesh::Real > &	mole_fractions
	)		const

inline

Mole fraction for all species, unitless.

Definition at line 153 of file antioch_chemistry.h.

References _antioch_gas.

   {
     _antioch_gas->X(M,mass_fractions,mole_fractions);
     return;
   }

Member Data Documentation

boost::scoped_ptr<Antioch::ChemicalMixture<libMesh::Real> > GRINS::AntiochChemistry::_antioch_gas

protected

Definition at line 112 of file antioch_chemistry.h.

Referenced by AntiochChemistry(), GRINS::AntiochMixture::build_stat_mech_ref_correction(), chemical_mixture(), M(), M_mix(), molar_densities(), molar_density(), n_species(), R(), R_mix(), GRINS::AntiochWilkeTransportMixture< Thermo, Viscosity, Conductivity, Diffusivity >::specialized_build_thermo(), GRINS::AntiochWilkeTransportMixture< Thermo, Viscosity, Conductivity, Diffusivity >::specialized_build_viscosity(), species_index(), species_name(), and X().

The documentation for this class was generated from the following files:

src/properties/include/grins/antioch_chemistry.h
src/properties/src/antioch_chemistry.C

Public Member Functions

Protected Attributes

Private Member Functions

Detailed Description

Constructor & Destructor Documentation

Member Function Documentation

Member Data Documentation