An abstract base class for evaluating all reactions of a particular type. More...

#include <MultiRateBase.h>

Inheritance diagram for MultiRateBase:

Detailed Description

An abstract base class for evaluating all reactions of a particular type.

Because this class has no template parameters, the Kinetics object can store all of these rate coefficient evaluators as a vector<shared_ptr<MultiRateBase>>. All of the actual implementation for this capability is done in the MultiRate class.

Definition at line 27 of file MultiRateBase.h.

Public Member Functions
virtual string	type ()=0
	Identifier of reaction rate type.

virtual void	add (size_t rxn_index, ReactionRate &rate)=0
	Add reaction rate object to the evaluator.

virtual bool	replace (size_t rxn_index, ReactionRate &rate)=0
	Replace reaction rate object handled by the evaluator.

virtual void	resize (size_t nSpecies, size_t nReactions, size_t nPhases)=0
	Update number of species and reactions.

virtual void	getRateConstants (double *kf)=0
	Evaluate all rate constants handled by the evaluator.

virtual void	processRateConstants_ddT (double rop, const double kf, double deltaT)=0
	Evaluate all rate constant temperature derivatives handled by the evaluator; which are multiplied with the array of rate-of-progress variables.

virtual void	processRateConstants_ddP (double rop, const double kf, double deltaP)=0
	Evaluate all rate constant pressure derivatives handled by the evaluator; which are multiplied with the array of rate-of-progress variables.

virtual void	processRateConstants_ddM (double rop, const double kf, double deltaM, bool overwrite=true)=0
	Evaluate all rate constant third-body derivatives handled by the evaluator; which are multiplied with the array of rate-of-progress variables.

virtual void	update (double T)=0
	Update common reaction rate data based on temperature.

virtual void	update (double T, double extra)=0
	Update common reaction rate data based on temperature and extra parameter.

virtual void	update (double T, const vector< double > &extra)=0
	Update common reaction rate data based on temperature and extra parameter.

virtual bool	update (const ThermoPhase &phase, const Kinetics &kin)=0
	Update data common to reaction rates of a specific type.

virtual double	evalSingle (ReactionRate &rate)=0
	Get the rate for a single reaction.

Constructor & Destructor Documentation

◆ ~MultiRateBase()

virtual ~MultiRateBase ( )

inlinevirtual

Definition at line 30 of file MultiRateBase.h.

Member Function Documentation

◆ type()

virtual string type ( )

pure virtual

Identifier of reaction rate type.

Implemented in MultiRate< RateType, DataType >.

◆ add()

virtual void add	(	size_t	rxn_index,
		ReactionRate &	rate
	)

pure virtual

Add reaction rate object to the evaluator.

Parameters

rxn_index	index of reaction
rate	reaction rate object

Implemented in MultiRate< RateType, DataType >.

◆ replace()

virtual bool replace	(	size_t	rxn_index,
		ReactionRate &	rate
	)

pure virtual

Replace reaction rate object handled by the evaluator.

Parameters

rxn_index	index of reaction
rate	reaction rate object

Implemented in MultiRate< RateType, DataType >.

◆ resize()

virtual void resize	(	size_t	nSpecies,
		size_t	nReactions,
		size_t	nPhases
	)

pure virtual

Update number of species and reactions.

Parameters

nSpecies	number of species
nReactions	number of reactions
nPhases	number of phases

Implemented in MultiRate< RateType, DataType >.

◆ getRateConstants()

virtual void getRateConstants ( double * kf )

pure virtual

Evaluate all rate constants handled by the evaluator.

Parameters

kf	array of rate constants

Implemented in MultiRate< RateType, DataType >.

◆ processRateConstants_ddT()

virtual void processRateConstants_ddT	(	double *	rop,
		const double *	kf,
		double	deltaT
	)

pure virtual

Evaluate all rate constant temperature derivatives handled by the evaluator; which are multiplied with the array of rate-of-progress variables.

Depending on the implementation of a rate object, either an exact derivative or a numerical approximation may be used.

Parameters

[in,out]	rop	array of rop, which is modified by the method; contains rop on input, and d(rop)/dT on output
	kf	array of forward rate constants (numerical derivative only)
	deltaT	relative temperature perturbation (numerical derivative only)

Implemented in MultiRate< RateType, DataType >.

◆ processRateConstants_ddP()

virtual void processRateConstants_ddP	(	double *	rop,
		const double *	kf,
		double	deltaP
	)

pure virtual

Evaluate all rate constant pressure derivatives handled by the evaluator; which are multiplied with the array of rate-of-progress variables.

Parameters

[in,out]	rop	array of rop, which is modified by the method; contains rop on input, and d(rop)/dP on output
	kf	array of forward rate constants
	deltaP	relative pressure perturbation

Implemented in MultiRate< RateType, DataType >.

◆ processRateConstants_ddM()

virtual void processRateConstants_ddM	(	double *	rop,
		const double *	kf,
		double	deltaM,
		bool	overwrite = `true`
	)

pure virtual

Evaluate all rate constant third-body derivatives handled by the evaluator; which are multiplied with the array of rate-of-progress variables.

Parameters

[in,out]	rop	array of rop, which is modified by the method; contains rop on input, and d(rop)/dM on output
	kf	array of forward rate constants
	deltaM	relative perturbation of third-body concentrations
	overwrite	if `true`, rop entries not affected by M are set to zero

Implemented in MultiRate< RateType, DataType >.

◆ update() [1/4]

virtual void update ( double T )

pure virtual

Update common reaction rate data based on temperature.

Only used in conjunction with evalSingle and ReactionRate::eval

Parameters

T	temperature [K]

Implemented in MultiRate< RateType, DataType >.

◆ update() [2/4]

virtual void update	(	double	T,
		double	extra
	)

pure virtual

Update common reaction rate data based on temperature and extra parameter.

Only used in conjunction with evalSingle and ReactionRate::eval

Parameters

T	temperature [K]
extra	extra parameter (depends on parameterization)

Implemented in MultiRate< RateType, DataType >.

◆ update() [3/4]

virtual void update	(	double	T,
		const vector< double > &	extra
	)

pure virtual

Update common reaction rate data based on temperature and extra parameter.

Only used in conjunction with evalSingle and ReactionRate::eval

Parameters

T	temperature [K]
extra	extra vector parameter (depends on parameterization)

Warning: This method is an experimental part of the Cantera API and may be changed or removed without notice.

Implemented in MultiRate< RateType, DataType >.

◆ update() [4/4]

virtual bool update	(	const ThermoPhase &	phase,
		const Kinetics &	kin
	)

pure virtual

Update data common to reaction rates of a specific type.

This update mechanism is used by Kinetics reaction rate evaluators.

Parameters

phase	object representing reacting phase
kin	object representing kinetics

Returns: flag indicating whether reaction rates need to be re-evaluated

Implemented in MultiRate< RateType, DataType >.

◆ evalSingle()

virtual double evalSingle ( ReactionRate & rate )

pure virtual

Get the rate for a single reaction.

Used to implement ReactionRate::eval, which allows for the evaluation of a reaction rate expression outside of Kinetics reaction rate evaluators. Mainly used for testing purposes.

Implemented in MultiRate< RateType, DataType >.

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

MultiRateBase.h

Detailed Description

Public Member Functions

Constructor & Destructor Documentation

◆ ~MultiRateBase()

Member Function Documentation

◆ type()

◆ add()

◆ replace()

◆ resize()

◆ getRateConstants()

◆ processRateConstants_ddT()

◆ processRateConstants_ddP()

◆ processRateConstants_ddM()

◆ update() [1/4]

◆ update() [2/4]

◆ update() [3/4]

◆ update() [4/4]

◆ evalSingle()