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

#include <antioch_chemistry.h>

Inheritance diagram for GRINS::AntiochChemistry:

Collaboration diagram for GRINS::AntiochChemistry:

Public Member Functions
	AntiochChemistry (const GetPot &input, const std::string &material)
	Deprecated Constructor. More...

	AntiochChemistry (libMesh::UniquePtr< Antioch::ChemicalMixture< libMesh::Real > > &chem_mixture)
	User passes in built ChemicalMixture and this class takes ownership. More...

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...

Public Member Functions inherited from GRINS::ParameterUser
	ParameterUser (const std::string &user_name)

virtual	~ParameterUser ()

virtual void	set_parameter (libMesh::Number &param_variable, const GetPot &input, const std::string &param_name, libMesh::Number param_default)
	Each subclass can simultaneously read a parameter value from. More...

virtual void	set_parameter (libMesh::ParsedFunction< libMesh::Number, libMesh::Gradient > &func, const GetPot &input, const std::string &func_param_name, const std::string &param_default)
	Each subclass can simultaneously read a parsed function from. More...

virtual void	set_parameter (libMesh::ParsedFEMFunction< libMesh::Number > &func, const GetPot &input, const std::string &func_param_name, const std::string &param_default)
	Each subclass can simultaneously read a parsed function from. More...

virtual void	move_parameter (const libMesh::Number &old_parameter, libMesh::Number &new_parameter)
	When cloning an object, we need to update parameter pointers. More...

virtual void	move_parameter (const libMesh::ParsedFunction< libMesh::Number, libMesh::Gradient > &old_func, libMesh::ParsedFunction< libMesh::Number, libMesh::Gradient > &new_func)
	When cloning an object, we need to update parameter pointers. More...

virtual void	move_parameter (const libMesh::ParsedFEMFunction< libMesh::Number > &old_func, libMesh::ParsedFEMFunction< libMesh::Number > &new_func)
	When cloning an object, we need to update parameter pointers. More...

virtual void	register_parameter (const std::string &param_name, libMesh::ParameterMultiAccessor< libMesh::Number > &param_pointer) const
	Each subclass will register its copy of an independent. More...

Protected Attributes
libMesh::UniquePtr< Antioch::ChemicalMixture< libMesh::Real > >	_antioch_gas

Private Member Functions
	AntiochChemistry ()

Additional Inherited Members
Static Public Attributes inherited from GRINS::ParameterUser
static std::string	zero_vector_function = std::string("{0}")
	A parseable function string with LIBMESH_DIM components, all 0. More...

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 59 of file antioch_chemistry.h.

Constructor & Destructor Documentation

GRINS::AntiochChemistry::AntiochChemistry	(	const GetPot &	input,
		const std::string &	material
	)

Deprecated Constructor.

Definition at line 44 of file antioch_chemistry.C.

References _antioch_gas, and GRINS::MaterialsParsing::parse_chemical_species().

     : ParameterUser("AntiochChemistry")
   {
     {
       std::string warning = "==============================================\n";
       warning += "WARNING: This AntiochChemistry constructor is DEPREACTED!\n";
       warning += "         Prefer alternate constructor where parsing\n";
       warning += "         is done outside this class.\n";
       warning += "==============================================\n";
 
       libmesh_warning(warning);
     }
     std::vector<std::string> species_list;
     MaterialsParsing::parse_chemical_species(input,material,species_list);
 
     bool verbose_antioch_read = input("Materials/"+material+"/GasMixture/Antioch/verbose_read",false);
 
     std::string species_data_filename = input("Materials/"+material+"/GasMixture/Antioch/species_data", "default" );
     if( species_data_filename == std::string("default") )
       species_data_filename = Antioch::DefaultInstallFilename::chemical_mixture();
 
     std::string vibration_data_filename = input("Materials/"+material+"/GasMixture/Antioch/vibration_data", "default" );
     if( vibration_data_filename == std::string("default") )
       vibration_data_filename = Antioch::DefaultInstallFilename::vibrational_data();
 
     std::string electronic_data_filename = input("Materials/"+material+"/GasMixture/Antioch/electronic_data", "default" );
     if( electronic_data_filename == std::string("default") )
       electronic_data_filename = Antioch::DefaultInstallFilename::electronic_data();
 
     // By default, Antioch is using its ASCII parser. We haven't added more options yet.
     _antioch_gas.reset( new Antioch::ChemicalMixture<libMesh::Real>( species_list,
                                                                      verbose_antioch_read,
                                                                      species_data_filename,
                                                                      vibration_data_filename,
                                                                      electronic_data_filename ) );
   }

GRINS::AntiochChemistry::AntiochChemistry ( libMesh::UniquePtr< Antioch::ChemicalMixture< libMesh::Real > > & chem_mixture )

User passes in built ChemicalMixture and this class takes ownership.

Todo:: Use std::move when we have C++11

Definition at line 83 of file antioch_chemistry.C.

     : ParameterUser("AntiochChemistry")
   {
     _antioch_gas.reset( chem_mixture.release() );
   }

virtual GRINS::AntiochChemistry::~AntiochChemistry ( )

inlinevirtual

Definition at line 69 of file antioch_chemistry.h.

69 {}

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 177 of file antioch_chemistry.h.

References _antioch_gas.

Referenced by GRINS::AntiochEvaluator< Antioch::CEACurveFit< libMesh::Real >, Thermo >::specialized_build_thermo().

   {
     return *_antioch_gas.get();
   }

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

inline

Accessor for this class.

Definition at line 200 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 125 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 131 of file antioch_chemistry.h.

References _antioch_gas.

   {
     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 191 of file antioch_chemistry.h.

References _antioch_gas.

   {
     _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 183 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 165 of file antioch_chemistry.h.

References _antioch_gas.

Referenced by do_transport_eval(), and main().

   {
     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 137 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 143 of file antioch_chemistry.h.

References _antioch_gas.

Referenced by main().

   {
     return _antioch_gas->R(mass_fractions);
   }

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

inline

Definition at line 171 of file antioch_chemistry.h.

References _antioch_gas.

   {
     return _antioch_gas->species_name_map().find(species_name)->second;
   }

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

Definition at line 90 of file antioch_chemistry.C.

References _antioch_gas.

Referenced by do_transport_eval(), and main().

   {
     libmesh_assert_less(species_index, _antioch_gas->n_species());
 
     return _antioch_gas->species_inverse_name_map().find(species_index)->second;
   }

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

inline

Species mole fraction, unitless.

Definition at line 149 of file antioch_chemistry.h.

References _antioch_gas.

   {
     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 156 of file antioch_chemistry.h.

References _antioch_gas.

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

Member Data Documentation

libMesh::UniquePtr<Antioch::ChemicalMixture<libMesh::Real> > GRINS::AntiochChemistry::_antioch_gas

protected

Definition at line 115 of file antioch_chemistry.h.

Referenced by AntiochChemistry(), chemical_mixture(), M(), M_mix(), molar_densities(), molar_density(), n_species(), R(), R_mix(), GRINS::AntiochMixtureAveragedTransportMixture< KineticsThermoCurveFit, Thermo, Viscosity, Conductivity, Diffusivity >::specialized_build_thermo(), 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

Additional Inherited Members

Detailed Description

Constructor & Destructor Documentation

Member Function Documentation

Member Data Documentation