Berthelot rate equation. More...

#include <berthelot_rate.h>

Inheritance diagram for Antioch::BerthelotRate< CoeffType >:

Public Member Functions
	BerthelotRate (const CoeffType Cf=0., const CoeffType D=0.)

	~BerthelotRate ()

void	set_Cf (const CoeffType Cf)

void	set_D (const CoeffType D)

void	set_parameter (KineticsModel::Parameters parameter, CoeffType new_value)
	set one parameter, characterized by enum More...

CoeffType	get_parameter (KineticsModel::Parameters parameter) const
	get one parameter, characterized by enum More...

template<typename VectorCoeffType >
void	set_parameter (KineticsModel::Parameters parameter, VectorCoeffType new_value)
	for compatibility purpose with photochemistry (particle flux reactions) More...

template<typename VectorCoeffType >
void	reset_coefs (const VectorCoeffType &coefficients)
	reset the coeffs More...

void	scale_D (const CoeffType scale)

CoeffType	Cf () const

CoeffType	D () const

template<typename StateType >
	rate (const StateType &T) const ANTIOCH_AUTOFUNC(StateType

_Cf *	ant_exp (_D *T))) template< typename StateType > operator()(const StateType &T) const template< typename StateType > derivative(const StateType &T) const ANTIOCH_AUTOFUNC(StateType

template<typename StateType , typename VectorStateType >
	rate (const KineticsConditions< StateType, VectorStateType > &T) const ANTIOCH_AUTOFUNC(StateType

_Cf *	ant_exp (_D *T.T())) template< typename StateType

_Cf VectorStateType	operator() (const KineticsConditions< StateType, VectorStateType > &T) const template< typename StateType

_Cf VectorStateType VectorStateType	derivative (const KineticsConditions< StateType, VectorStateType > &T) const ANTIOCH_AUTOFUNC(StateType

const std::string	numeric () const
	print equation More...

KineticsModel::KineticsModel	type () const

StateType	operator() (const StateType &temp) const

StateType	derivative (const StateType &conditions) const

CoeffType	get_parameter (KineticsModel::Parameters parameter, int l) const
	get one parameter, characterized by enum, for vectorized parameter More...

void	compute_rate_and_derivative (const KineticsConditions< StateType, VectorStateType > &conditions, StateType &rate, StateType &drate_dT) const

void	compute_rate_and_derivative (const StateType &temp, StateType &rate, StateType &drate_dT) const

void	set_index (unsigned int nr)

void	print (std::ostream &os=std::cout) const
	Formatted print, by default to `std::cout`. More...

Public Attributes
_Cf(*	this )(T)*_D) template< typename StateType > void rate_and_derivative(const StateType &T
	Simultaneously evaluate the rate and its derivative at `T`. More...

_Cf(*) StateType	rate )

_Cf(*) StateType StateType &drate_d	const )

_Cf VectorStateType VectorStateType(*	this )(T)*_D) template< typename StateType
	Simultaneously evaluate the rate and its derivative at `T`. More...

_Cf VectorStateType VectorStateType(*) VectorStateType voi	rate_and_derivative )(const KineticsConditions< StateType, VectorStateType > &T, StateType &rate, StateType &drate_dT) const

Private Attributes
CoeffType	_Cf

CoeffType	_D

Detailed Description

template<typename CoeffType = double>
class Antioch::BerthelotRate< CoeffType >

Berthelot rate equation.

The Berthelot kinetics model is of the form:

$\alpha(T) = A \exp\left(D T\right)$

thus

$\frac{\partial\alpha(T)}{\partial T} = \alpha(T) D$

Definition at line 55 of file berthelot_rate.h.

Constructor & Destructor Documentation

template<typename CoeffType >

Antioch::BerthelotRate< CoeffType >::BerthelotRate	(	const CoeffType	Cf = `0.`,
		const CoeffType	D = `0.`
	)

Definition at line 147 of file berthelot_rate.h.

     : KineticsType<CoeffType>(KineticsModel::BERTHELOT),
       _Cf(Cf),
       _D(D)
   {
     return;
   }

template<typename CoeffType >

Antioch::BerthelotRate< CoeffType >::~BerthelotRate ( )

Definition at line 156 of file berthelot_rate.h.

   {
     return;
   }

Member Function Documentation

template<typename CoeffType = double>

_Cf* Antioch::BerthelotRate< CoeffType >::ant_exp ( _D * T ) const

Returns: the rate evaluated at T.; the derivative with respect to temperature evaluated at T.

template<typename CoeffType = double>

_Cf* Antioch::BerthelotRate< CoeffType >::ant_exp ( _D *T. T() )

Returns: the rate evaluated at T.

template<typename CoeffType >

CoeffType Antioch::BerthelotRate< CoeffType >::Cf ( ) const

inline

Definition at line 257 of file berthelot_rate.h.

References Antioch::BerthelotRate< CoeffType >::_Cf.

Referenced by Antioch::BerthelotRate< CoeffType >::get_parameter(), and Antioch::BerthelotRate< CoeffType >::set_Cf().

258 { return _Cf; }

Antioch::BerthelotRate::_Cf

CoeffType _Cf

Definition: berthelot_rate.h:60

void Antioch::KineticsType< CoeffType, VectorCoeffType >::compute_rate_and_derivative	(	const KineticsConditions< StateType, VectorStateType > &	conditions,
		StateType &	rate,
		StateType &	drate_dT
	)		const

inherited

void Antioch::KineticsType< CoeffType, VectorCoeffType >::compute_rate_and_derivative	(	const StateType &	temp,
		StateType &	rate,
		StateType &	drate_dT
	)		const

inherited

template<typename CoeffType >

CoeffType Antioch::BerthelotRate< CoeffType >::D ( ) const

inline

Definition at line 262 of file berthelot_rate.h.

References Antioch::BerthelotRate< CoeffType >::_D.

Referenced by Antioch::BerthelotRate< CoeffType >::get_parameter(), and Antioch::BerthelotRate< CoeffType >::set_D().

263 { return _D; }

Antioch::BerthelotRate::_D

CoeffType _D

Definition: berthelot_rate.h:61

StateType Antioch::KineticsType< CoeffType, VectorCoeffType >::derivative ( const StateType & conditions ) const

inherited

template<typename CoeffType = double>

_Cf VectorStateType VectorStateType Antioch::BerthelotRate< CoeffType >::derivative ( const KineticsConditions< StateType, VectorStateType > & T ) const

Referenced by test_values(), and vectester().

template<typename CoeffType >

CoeffType Antioch::BerthelotRate< CoeffType >::get_parameter ( KineticsModel::Parameters parameter ) const

inline

get one parameter, characterized by enum

Definition at line 224 of file berthelot_rate.h.

References Antioch::KineticsModel::A, antioch_error, Antioch::BerthelotRate< CoeffType >::Cf(), Antioch::KineticsModel::D, and Antioch::BerthelotRate< CoeffType >::D().

   {
      switch(parameter)
      {
        case KineticsModel::Parameters::A:
        {
          return this->Cf();
        }
          break;
        case KineticsModel::Parameters::D:
        {
          return this->D();
        }
          break;
        default:
        {
          antioch_error();
        }
         break;
      }
      return 0;
   }

CoeffType Antioch::KineticsType< CoeffType, VectorCoeffType >::get_parameter	(	KineticsModel::Parameters	parameter,
		int	l
	)		const

inherited

get one parameter, characterized by enum, for vectorized parameter

template<typename CoeffType >

const std::string Antioch::BerthelotRate< CoeffType >::numeric ( ) const

virtual

print equation

Implements Antioch::KineticsType< CoeffType >.

Definition at line 162 of file berthelot_rate.h.

References Antioch::BerthelotRate< CoeffType >::_Cf.

   {
     std::stringstream os;
     os << _Cf;
     os << "*exp(" << _D << "*T)";
 
     return os.str();
   }

StateType Antioch::KineticsType< CoeffType, VectorCoeffType >::operator() ( const StateType & temp ) const

inherited

template<typename CoeffType = double>

_Cf VectorStateType Antioch::BerthelotRate< CoeffType >::operator() ( const KineticsConditions< StateType, VectorStateType > & T ) const

Returns: the derivative with respect to temperature evaluated at T.

void Antioch::KineticsType< CoeffType, VectorCoeffType >::print ( std::ostream & os = std::cout ) const

inherited

Formatted print, by default to std::cout.

template<typename CoeffType = double>

template<typename StateType >

Antioch::BerthelotRate< CoeffType >::rate ( const StateType & T ) const

Returns: the rate evaluated at T.

template<typename CoeffType = double>

template<typename StateType , typename VectorStateType >

Antioch::BerthelotRate< CoeffType >::rate ( const KineticsConditions< StateType, VectorStateType > & T ) const

Returns: the rate evaluated at T.

template<typename CoeffType >

template<typename VectorCoeffType >

void Antioch::BerthelotRate< CoeffType >::reset_coefs ( const VectorCoeffType & coefficients )

inline

reset the coeffs

You require exactly two parameters, the order assumed is Cf, D

Definition at line 191 of file berthelot_rate.h.

References antioch_assert_equal_to, Antioch::BerthelotRate< CoeffType >::set_Cf(), and Antioch::BerthelotRate< CoeffType >::set_D().

Referenced by tester().

   {
      antioch_assert_equal_to(coefficients.size(),2);
      this->set_Cf(coefficients[0]);
      this->set_D(coefficients[1]);
   }

template<typename CoeffType >

void Antioch::BerthelotRate< CoeffType >::scale_D ( const CoeffType scale )

inline

Definition at line 249 of file berthelot_rate.h.

   {
     _D *= scale;
     return;
   }

template<typename CoeffType >

void Antioch::BerthelotRate< CoeffType >::set_Cf ( const CoeffType Cf )

inline

Definition at line 174 of file berthelot_rate.h.

References Antioch::BerthelotRate< CoeffType >::Cf().

Referenced by Antioch::BerthelotRate< CoeffType >::reset_coefs(), Antioch::BerthelotRate< CoeffType >::set_parameter(), and tester().

   {
     _Cf = Cf;
     return;
   }

template<typename CoeffType >

void Antioch::BerthelotRate< CoeffType >::set_D ( const CoeffType D )

inline

Definition at line 182 of file berthelot_rate.h.

References Antioch::BerthelotRate< CoeffType >::D().

Referenced by Antioch::BerthelotRate< CoeffType >::reset_coefs(), Antioch::BerthelotRate< CoeffType >::set_parameter(), and tester().

   {
     _D = D;
     return;
   }

void Antioch::KineticsType< CoeffType, VectorCoeffType >::set_index ( unsigned int nr )

inherited

template<typename CoeffType >

void Antioch::BerthelotRate< CoeffType >::set_parameter	(	KineticsModel::Parameters	parameter,
		CoeffType	new_value
	)

inline

set one parameter, characterized by enum

Definition at line 200 of file berthelot_rate.h.

References Antioch::KineticsModel::A, antioch_error, Antioch::KineticsModel::D, Antioch::BerthelotRate< CoeffType >::set_Cf(), and Antioch::BerthelotRate< CoeffType >::set_D().

   {
      switch(parameter)
      {
        case KineticsModel::Parameters::A:
        {
          this->set_Cf(new_value);
        }
          break;
        case KineticsModel::Parameters::D:
        {
          this->set_D(new_value);
        }
          break;
        default:
        {
          antioch_error();
        }
         break;
      }
   }

template<typename CoeffType = double>

template<typename VectorCoeffType >

void Antioch::BerthelotRate< CoeffType >::set_parameter	(	KineticsModel::Parameters	parameter,
		VectorCoeffType	new_value
	)

inline

for compatibility purpose with photochemistry (particle flux reactions)

Definition at line 81 of file berthelot_rate.h.

References antioch_error.

81 {antioch_error();}

antioch_error

#define antioch_error()

Definition: antioch_asserts.h:104

KineticsModel::KineticsModel Antioch::KineticsType< CoeffType, VectorCoeffType >::type ( ) const

inherited

Member Data Documentation

template<typename CoeffType = double>

CoeffType Antioch::BerthelotRate< CoeffType >::_Cf

private

Definition at line 60 of file berthelot_rate.h.

Referenced by Antioch::BerthelotRate< CoeffType >::Cf(), and Antioch::BerthelotRate< CoeffType >::numeric().

template<typename CoeffType = double>

CoeffType Antioch::BerthelotRate< CoeffType >::_D

private

Definition at line 61 of file berthelot_rate.h.

Referenced by Antioch::BerthelotRate< CoeffType >::D().

template<typename CoeffType = double>

_Cf(*) StateType StateType& drate_d Antioch::BerthelotRate< CoeffType >::const)

Definition at line 116 of file berthelot_rate.h.

template<typename CoeffType = double>

_Cf(*) StateType Antioch::BerthelotRate< CoeffType >::rate)

Definition at line 116 of file berthelot_rate.h.

template<typename CoeffType = double>

void Antioch::BerthelotRate< CoeffType >::rate_and_derivative

inline

Definition at line 140 of file berthelot_rate.h.

Referenced by test_values(), and vectester().

template<typename CoeffType = double>

_Cf(* Antioch::BerthelotRate< CoeffType >::this)(T)*_D)template< typename StateType > void rate_and_derivative(const StateType &T

Simultaneously evaluate the rate and its derivative at T.

Definition at line 112 of file berthelot_rate.h.

template<typename CoeffType = double>

_Cf VectorStateType VectorStateType(* Antioch::BerthelotRate< CoeffType >::this)(T)*_D)template< typename StateType

Simultaneously evaluate the rate and its derivative at T.

Definition at line 136 of file berthelot_rate.h.

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

src/kinetics/include/antioch/berthelot_rate.h

Public Member Functions

Public Attributes

Private Attributes

Detailed Description

template<typename CoeffType = double> class Antioch::BerthelotRate< CoeffType >

Constructor & Destructor Documentation

Member Function Documentation

Member Data Documentation

template<typename CoeffType = double>
class Antioch::BerthelotRate< CoeffType >