Wrapper class for evaluating chemistry and thermo properties using Antioch. More...

#include <antioch_evaluator.h>

Inheritance diagram for GRINS::AntiochEvaluator< Thermo >:

Collaboration diagram for GRINS::AntiochEvaluator< Thermo >:

Public Member Functions
	AntiochEvaluator (const AntiochMixture &mixture)

virtual	~AntiochEvaluator ()

libMesh::Real	M (unsigned int species) const

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

libMesh::Real	R (unsigned int species) const

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

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

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

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

std::string	species_name (unsigned int species_index) const

libMesh::Real	cp (const CachedValues &cache, unsigned int qp)

libMesh::Real	cv (const CachedValues &cache, unsigned int qp)

libMesh::Real	h_s (const CachedValues &cache, unsigned int qp, unsigned int species)

void	h_s (const CachedValues &cache, unsigned int qp, std::vector< libMesh::Real > &h_s)

libMesh::Real	h_s (const libMesh::Real &T, unsigned int species)

libMesh::Real	cp (const libMesh::Real &T, const std::vector< libMesh::Real > &Y)

void	omega_dot (const CachedValues &cache, unsigned int qp, std::vector< libMesh::Real > &omega_dot)

void	omega_dot (const libMesh::Real &T, libMesh::Real rho, const std::vector< libMesh::Real > mass_fractions, std::vector< libMesh::Real > &omega_dot)

template<>
libMesh::Real	cp (const CachedValues &cache, unsigned int qp)

template<>
libMesh::Real	cp (const CachedValues &cache, unsigned int qp)

template<>
libMesh::Real	cp (const libMesh::Real &T, const std::vector< libMesh::Real > &Y)

template<>
libMesh::Real	cp (const libMesh::Real &T, const std::vector< libMesh::Real > &Y)

template<>
libMesh::Real	cv (const CachedValues &cache, unsigned int qp)

template<>
libMesh::Real	h_s (const libMesh::Real &T, unsigned int species)

template<>
libMesh::Real	h_s (const libMesh::Real &T, unsigned int species)

template<>
libMesh::Real	cv (const CachedValues &cache, unsigned int qp)

template<>
libMesh::Real	h_s (const CachedValues &cache, unsigned int qp, unsigned int species)

template<>
libMesh::Real	h_s (const CachedValues &cache, unsigned int qp, unsigned int species)

template<>
void	h_s (const CachedValues &cache, unsigned int qp, std::vector< libMesh::Real > &h_s)

template<>
void	h_s (const CachedValues &cache, unsigned int qp, std::vector< libMesh::Real > &h_s)

Protected Member Functions
void	check_and_reset_temp_cache (const libMesh::Real &T)
	Helper method for managing _temp_cache. More...

void	build_thermo (const AntiochMixture &mixture)

Protected Attributes
const AntiochMixture &	_chem

boost::scoped_ptr< Thermo >	_thermo

boost::scoped_ptr< AntiochKinetics >	_kinetics

boost::scoped_ptr< Antioch::TempCache< libMesh::Real > >	_temp_cache

Private Member Functions
	AntiochEvaluator ()

void	specialized_build_thermo (const AntiochMixture &mixture, boost::scoped_ptr< Antioch::StatMechThermodynamics< libMesh::Real > > &thermo, thermo_type< Antioch::StatMechThermodynamics< libMesh::Real > >)

void	specialized_build_thermo (const AntiochMixture &mixture, boost::scoped_ptr< Antioch::CEAEvaluator< libMesh::Real > > &thermo, thermo_type< Antioch::CEAEvaluator< libMesh::Real > >)

Detailed Description

template<typename Thermo>
class GRINS::AntiochEvaluator< Thermo >

Wrapper class for evaluating chemistry and thermo properties using Antioch.

This class is expected to be constructed after threads have been forked and will only live during the lifetime of the thread. 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 58 of file antioch_evaluator.h.

Constructor & Destructor Documentation

template<typename Thermo >

GRINS::AntiochEvaluator< Thermo >::AntiochEvaluator ( const AntiochMixture & mixture )

Definition at line 43 of file antioch_evaluator.C.

References GRINS::AntiochEvaluator< Thermo >::build_thermo().

     : _chem( mixture ),
       _thermo( NULL ),
       _kinetics( new AntiochKinetics(mixture) ),
       _temp_cache( new Antioch::TempCache<libMesh::Real>(1.0) )
   {
     this->build_thermo( mixture );
     return;
   }

template<typename Thermo >

GRINS::AntiochEvaluator< Thermo >::~AntiochEvaluator ( )

virtual

Definition at line 54 of file antioch_evaluator.C.

   {
     return;
   }

template<typename Thermo>

GRINS::AntiochEvaluator< Thermo >::AntiochEvaluator ( )

private

Member Function Documentation

template<typename Thermo>

void GRINS::AntiochEvaluator< Thermo >::build_thermo ( const AntiochMixture & mixture )

inlineprotected

Definition at line 126 of file antioch_evaluator.h.

References GRINS::AntiochEvaluator< Thermo >::specialized_build_thermo().

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

127 { specialized_build_thermo( mixture, _thermo, thermo_type<Thermo>() ); }

GRINS::AntiochEvaluator::_thermo

boost::scoped_ptr< Thermo > _thermo

Definition: antioch_evaluator.h:111

GRINS::AntiochEvaluator::specialized_build_thermo

void specialized_build_thermo(const AntiochMixture &mixture, boost::scoped_ptr< Antioch::StatMechThermodynamics< libMesh::Real > > &thermo, thermo_type< Antioch::StatMechThermodynamics< libMesh::Real > >)

Definition: antioch_evaluator.h:133

template<typename Thermo >

void GRINS::AntiochEvaluator< Thermo >::check_and_reset_temp_cache ( const libMesh::Real & T )

protected

Helper method for managing _temp_cache.

T MUST be pass-by-reference because of the structure of Antioch::TempCache!

Definition at line 85 of file antioch_evaluator.C.

   {
     if( _temp_cache->T != T )
       {
         _temp_cache.reset( new Antioch::TempCache<libMesh::Real>(T) );
       }
 
     return;
   }

template<typename Thermo>

libMesh::Real GRINS::AntiochEvaluator< Thermo >::cp	(	const CachedValues &	cache,
		unsigned int	qp
	)

Referenced by GRINS::AntiochEvaluator< Thermo >::cp(), do_transport_eval(), and test_evaluator().

template<typename Thermo>

libMesh::Real GRINS::AntiochEvaluator< Thermo >::cp	(	const libMesh::Real &	T,
		const std::vector< libMesh::Real > &	Y
	)

template<>

libMesh::Real GRINS::AntiochEvaluator< Antioch::CEAEvaluator< libMesh::Real > >::cp	(	const CachedValues &	cache,
		unsigned int	qp
	)

Definition at line 96 of file antioch_evaluator.C.

References GRINS::CachedValues::get_cached_values(), GRINS::CachedValues::get_cached_vector_values(), GRINS::Cache::MASS_FRACTIONS, and GRINS::Cache::TEMPERATURE.

   {
     const libMesh::Real& T = cache.get_cached_values(Cache::TEMPERATURE)[qp];
     const std::vector<libMesh::Real>& Y = cache.get_cached_vector_values(Cache::MASS_FRACTIONS)[qp];
 
     this->check_and_reset_temp_cache(T);
 
     return _thermo->cp( *(_temp_cache.get()), Y );
   }

template<>

libMesh::Real GRINS::AntiochEvaluator< Antioch::StatMechThermodynamics< libMesh::Real > >::cp	(	const CachedValues &	cache,
		unsigned int	qp
	)

Definition at line 108 of file antioch_evaluator.C.

References GRINS::CachedValues::get_cached_values(), GRINS::CachedValues::get_cached_vector_values(), GRINS::Cache::MASS_FRACTIONS, and GRINS::Cache::TEMPERATURE.

   {
     const libMesh::Real T = cache.get_cached_values(Cache::TEMPERATURE)[qp];
     const std::vector<libMesh::Real>& Y = cache.get_cached_vector_values(Cache::MASS_FRACTIONS)[qp];
 
     return _thermo->cp( T, T, Y );
   }

template<>

libMesh::Real GRINS::AntiochEvaluator< Antioch::CEAEvaluator< libMesh::Real > >::cp	(	const libMesh::Real &	T,
		const std::vector< libMesh::Real > &	Y
	)

Definition at line 118 of file antioch_evaluator.C.

   {
     this->check_and_reset_temp_cache(T);
 
     return _thermo->cp( *(_temp_cache.get()), Y );
   }

template<>

libMesh::Real GRINS::AntiochEvaluator< Antioch::StatMechThermodynamics< libMesh::Real > >::cp	(	const libMesh::Real &	T,
		const std::vector< libMesh::Real > &	Y
	)

Definition at line 127 of file antioch_evaluator.C.

References GRINS::AntiochEvaluator< Thermo >::cp().

   {
     return _thermo->cp( T, T, Y );
   }

template<typename Thermo>

libMesh::Real GRINS::AntiochEvaluator< Thermo >::cv	(	const CachedValues &	cache,
		unsigned int	qp
	)

Referenced by test_evaluator().

template<>

libMesh::Real GRINS::AntiochEvaluator< Antioch::CEAEvaluator< libMesh::Real > >::cv	(	const CachedValues &	cache,
		unsigned int	qp
	)

Definition at line 134 of file antioch_evaluator.C.

References GRINS::CachedValues::get_cached_values(), GRINS::CachedValues::get_cached_vector_values(), GRINS::Cache::MASS_FRACTIONS, and GRINS::Cache::TEMPERATURE.

   {
     const libMesh::Real& T = cache.get_cached_values(Cache::TEMPERATURE)[qp];
     const std::vector<libMesh::Real>& Y = cache.get_cached_vector_values(Cache::MASS_FRACTIONS)[qp];
 
     this->check_and_reset_temp_cache(T);
 
     return _thermo->cv( *(_temp_cache.get()), Y );
   }

template<>

libMesh::Real GRINS::AntiochEvaluator< Antioch::StatMechThermodynamics< libMesh::Real > >::cv	(	const CachedValues &	cache,
		unsigned int	qp
	)

Definition at line 160 of file antioch_evaluator.C.

References GRINS::CachedValues::get_cached_values(), GRINS::CachedValues::get_cached_vector_values(), GRINS::Cache::MASS_FRACTIONS, and GRINS::Cache::TEMPERATURE.

   {
     const libMesh::Real T = cache.get_cached_values(Cache::TEMPERATURE)[qp];
     const std::vector<libMesh::Real>& Y = cache.get_cached_vector_values(Cache::MASS_FRACTIONS)[qp];
 
     return _thermo->cv( T, T, Y );
   }

template<typename Thermo>

libMesh::Real GRINS::AntiochEvaluator< Thermo >::h_s	(	const CachedValues &	cache,
		unsigned int	qp,
		unsigned int	species
	)

Referenced by test_evaluator().

template<typename Thermo>

void GRINS::AntiochEvaluator< Thermo >::h_s	(	const CachedValues &	cache,
		unsigned int	qp,
		std::vector< libMesh::Real > &	h_s
	)

template<typename Thermo>

libMesh::Real GRINS::AntiochEvaluator< Thermo >::h_s	(	const libMesh::Real &	T,
		unsigned int	species
	)

template<>

libMesh::Real GRINS::AntiochEvaluator< Antioch::CEAEvaluator< libMesh::Real > >::h_s	(	const libMesh::Real &	T,
		unsigned int	species
	)

Definition at line 146 of file antioch_evaluator.C.

   {
     this->check_and_reset_temp_cache(T);
 
     return _thermo->h( *(_temp_cache.get()), species );;
   }

template<>

libMesh::Real GRINS::AntiochEvaluator< Antioch::StatMechThermodynamics< libMesh::Real > >::h_s	(	const libMesh::Real &	T,
		unsigned int	species
	)

Definition at line 154 of file antioch_evaluator.C.

   {
     return _thermo->h_tot( species, T ) + _chem.h_stat_mech_ref_correction(species);
   }

template<>

libMesh::Real GRINS::AntiochEvaluator< Antioch::CEAEvaluator< libMesh::Real > >::h_s	(	const CachedValues &	cache,
		unsigned int	qp,
		unsigned int	species
	)

Definition at line 170 of file antioch_evaluator.C.

References GRINS::CachedValues::get_cached_values(), and GRINS::Cache::TEMPERATURE.

   {
     const libMesh::Real& T = cache.get_cached_values(Cache::TEMPERATURE)[qp];
 
     return this->h_s( T, species );
   }

template<>

libMesh::Real GRINS::AntiochEvaluator< Antioch::StatMechThermodynamics< libMesh::Real > >::h_s	(	const CachedValues &	cache,
		unsigned int	qp,
		unsigned int	species
	)

Definition at line 180 of file antioch_evaluator.C.

References GRINS::CachedValues::get_cached_values(), and GRINS::Cache::TEMPERATURE.

   {
     const libMesh::Real T = cache.get_cached_values(Cache::TEMPERATURE)[qp];
 
     return this->h_s(T, species);
   }

template<>

void GRINS::AntiochEvaluator< Antioch::CEAEvaluator< libMesh::Real > >::h_s	(	const CachedValues &	cache,
		unsigned int	qp,
		std::vector< libMesh::Real > &	h_s
	)

Definition at line 190 of file antioch_evaluator.C.

References GRINS::CachedValues::get_cached_values(), and GRINS::Cache::TEMPERATURE.

   {
     const libMesh::Real& T = cache.get_cached_values(Cache::TEMPERATURE)[qp];
 
     this->check_and_reset_temp_cache(T);
 
     _thermo->h( *(_temp_cache.get()), h_s );
 
     return;
   }

template<>

void GRINS::AntiochEvaluator< Antioch::StatMechThermodynamics< libMesh::Real > >::h_s	(	const CachedValues &	cache,
		unsigned int	qp,
		std::vector< libMesh::Real > &	h_s
	)

Definition at line 204 of file antioch_evaluator.C.

   {
     for( unsigned int s = 0; s < _chem.n_species(); s++ )
       {
         h_s[s] = this->h_s(cache,qp,s);
       }
 
     return;
   }

template<typename Thermo >

libMesh::Real GRINS::AntiochEvaluator< Thermo >::M ( unsigned int species ) const

inline

Definition at line 154 of file antioch_evaluator.h.

   {
     return _chem.M(species);
   }

template<typename Thermo >

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

inline

Definition at line 161 of file antioch_evaluator.h.

   {
     return _chem.M_mix(mass_fractions);
   }

template<typename Thermo >

void GRINS::AntiochEvaluator< Thermo >::omega_dot	(	const CachedValues &	cache,
		unsigned int	qp,
		std::vector< libMesh::Real > &	omega_dot
	)

Definition at line 60 of file antioch_evaluator.C.

References GRINS::CachedValues::get_cached_values(), GRINS::CachedValues::get_cached_vector_values(), GRINS::Cache::MASS_FRACTIONS, GRINS::Cache::MIXTURE_DENSITY, and GRINS::Cache::TEMPERATURE.

Referenced by test_evaluator().

   {
     const libMesh::Real& T = cache.get_cached_values(Cache::TEMPERATURE)[qp];
     const libMesh::Real rho = cache.get_cached_values(Cache::MIXTURE_DENSITY)[qp];
     const std::vector<libMesh::Real>& Y = cache.get_cached_vector_values(Cache::MASS_FRACTIONS)[qp];
 
     this->omega_dot( T, rho, Y, omega_dot );
 
     return;
   }

template<typename Thermo >

void GRINS::AntiochEvaluator< Thermo >::omega_dot	(	const libMesh::Real &	T,
		libMesh::Real	rho,
		const std::vector< libMesh::Real >	mass_fractions,
		std::vector< libMesh::Real > &	omega_dot
	)

Definition at line 73 of file antioch_evaluator.C.

   {
     this->check_and_reset_temp_cache(T);
 
     _kinetics->omega_dot( *(_temp_cache.get()), rho, mass_fractions, omega_dot );
 
     return;
   }

template<typename Thermo >

libMesh::Real GRINS::AntiochEvaluator< Thermo >::R ( unsigned int species ) const

inline

Definition at line 168 of file antioch_evaluator.h.

   {
     return _chem.R(species);
   }

template<typename Thermo >

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

inline

Definition at line 175 of file antioch_evaluator.h.

   {
     return _chem.R_mix(mass_fractions);
   }

template<typename Thermo>

void GRINS::AntiochEvaluator< Thermo >::specialized_build_thermo	(	const AntiochMixture &	mixture,
		boost::scoped_ptr< Antioch::StatMechThermodynamics< libMesh::Real > > &	thermo,
		thermo_type< Antioch::StatMechThermodynamics< libMesh::Real > >
	)

inlineprivate

Definition at line 133 of file antioch_evaluator.h.

References GRINS::AntiochChemistry::chemical_mixture().

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

     {
       thermo.reset( new Antioch::StatMechThermodynamics<libMesh::Real>( mixture.chemical_mixture() ) );
       return;
     }

template<typename Thermo>

void GRINS::AntiochEvaluator< Thermo >::specialized_build_thermo	(	const AntiochMixture &	mixture,
		boost::scoped_ptr< Antioch::CEAEvaluator< libMesh::Real > > &	thermo,
		thermo_type< Antioch::CEAEvaluator< libMesh::Real > >
	)

inlineprivate

Definition at line 141 of file antioch_evaluator.h.

References GRINS::AntiochMixture::cea_mixture().

     {
       thermo.reset( new Antioch::CEAEvaluator<libMesh::Real>( mixture.cea_mixture() ) );
       return;
     }

template<typename Thermo >

unsigned int GRINS::AntiochEvaluator< Thermo >::species_index ( const std::string & species_name ) const

inline

Definition at line 198 of file antioch_evaluator.h.

   {
     return _chem.species_index(species_name);
   }

template<typename Thermo >

std::string GRINS::AntiochEvaluator< Thermo >::species_name ( unsigned int species_index ) const

inline

Definition at line 205 of file antioch_evaluator.h.

   {
     return _chem.species_name(species_index);
   }

template<typename Thermo >

libMesh::Real GRINS::AntiochEvaluator< Thermo >::X	(	unsigned int	species,
		libMesh::Real	M,
		libMesh::Real	mass_fraction
	)		const

inline

Definition at line 182 of file antioch_evaluator.h.

   {
     return _chem.X(species,M,mass_fraction);
   }

template<typename Thermo >

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

inline

Definition at line 189 of file antioch_evaluator.h.

   {
     _chem.X(M,mass_fractions,mole_fractions);
     return;
   }

Member Data Documentation

template<typename Thermo>

const AntiochMixture& GRINS::AntiochEvaluator< Thermo >::_chem

protected

Definition at line 108 of file antioch_evaluator.h.

template<typename Thermo>

boost::scoped_ptr<AntiochKinetics> GRINS::AntiochEvaluator< Thermo >::_kinetics

protected

Definition at line 113 of file antioch_evaluator.h.

template<typename Thermo>

boost::scoped_ptr<Antioch::TempCache<libMesh::Real> > GRINS::AntiochEvaluator< Thermo >::_temp_cache

protected

Definition at line 115 of file antioch_evaluator.h.

template<typename Thermo>

boost::scoped_ptr<Thermo> GRINS::AntiochEvaluator< Thermo >::_thermo

protected

Definition at line 111 of file antioch_evaluator.h.

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

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

Public Member Functions

Protected Member Functions

Protected Attributes

Private Member Functions

Detailed Description

template<typename Thermo> class GRINS::AntiochEvaluator< Thermo >

Constructor & Destructor Documentation

Member Function Documentation

Member Data Documentation

template<typename Thermo>
class GRINS::AntiochEvaluator< Thermo >