A class template handling ReactionRate specializations. More...

#include <MultiRate.h>

Inheritance diagram for MultiRate< RateType, DataType >:

Collaboration diagram for MultiRate< RateType, DataType >:

Public Member Functions
virtual std::string	type () override
	Identifier of reaction rate type. More...

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

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

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

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

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

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

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

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

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

virtual void	update (double T, const vector_fp &extra) override
	Update common reaction rate data based on temperature and extra parameter. More...

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

virtual double	evalSingle (ReactionRate &rate) override
	Get the rate for a single reaction. More...

Protected Member Functions
template<typename T = RateType, typename std::enable_if< has_update< T >::value, bool >::type = true>
void	_update ()
	Helper function to process updates for rate types that implement the `updateFromStruct` method. More...

template<typename T = RateType, typename std::enable_if<!has_update< T >::value, bool >::type = true>
void	_update ()
	Helper function for rate types that do not implement `updateFromStruct`. More...

template<typename T = RateType, typename std::enable_if< has_update< T >::value, bool >::type = true>
void	_updateRate (RateType &rate)
	Helper function to update a single rate that has an `updateFromStruct` method`. More...

template<typename T = RateType, typename std::enable_if<!has_update< T >::value, bool >::type = true>
void	_updateRate (RateType &rate)
	Helper function for single rate that does not implement `updateFromStruct`. More...

template<typename T = RateType, typename std::enable_if< has_ddT< T >::value, bool >::type = true>
void	_process_ddT (double rop, const double kf, double deltaT)
	Helper function to process temperature derivatives for rate types that implement the `ddTScaledFromStruct` method. More...

template<typename T = RateType, typename std::enable_if<!has_ddT< T >::value, bool >::type = true>
void	_process_ddT (double rop, const double kf, double deltaT)
	Helper function for rate types that do not implement `ddTScaledFromStruct` More...

template<typename T = RateType, typename D = DataType, typename std::enable_if< has_ddM< D >::value, bool >::type = true>
void	_process_ddM (double rop, const double kf, double deltaM, bool overwrite)
	Helper function to process third-body derivatives for rate data that implement the `perturbThirdBodies` method. More...

template<typename T = RateType, typename D = DataType, typename std::enable_if<!has_ddM< D >::value, bool >::type = true>
void	_process_ddM (double rop, const double kf, double deltaM, bool overwrite)
	Helper function for rate data that do not implement `perturbThirdBodies` More...

template<typename T = RateType, typename D = DataType, typename std::enable_if< has_ddP< D >::value, bool >::type = true>
void	_process_ddP (double rop, const double kf, double deltaP)
	Helper function to process pressure derivatives for rate data that implement the `perturbPressure` method. More...

template<typename T = RateType, typename D = DataType, typename std::enable_if<!has_ddP< D >::value, bool >::type = true>
void	_process_ddP (double rop, const double kf, double deltaP)
	Helper function for rate data that do not implement `perturbPressure` More...

Protected Attributes
std::vector< std::pair< size_t, RateType > >	m_rxn_rates
	Vector of pairs of reaction rates indices and reaction rates. More...

std::map< size_t, size_t >	m_indices

DataType	m_shared
	Mapping of indices. More...

Detailed Description

template<class RateType, class DataType>
class Cantera::MultiRate< RateType, DataType >

A class template handling ReactionRate specializations.

Definition at line 20 of file MultiRate.h.

Member Function Documentation

◆ type()

virtual std::string type ( )

inlineoverridevirtual

Identifier of reaction rate type.

Implements MultiRateBase.

Definition at line 28 of file MultiRate.h.

References MultiRate< RateType, DataType >::m_rxn_rates.

Referenced by MultiRate< RateType, DataType >::replace().

◆ add()

virtual void add	(	size_t	rxn_index,
		ReactionRate &	rate
	)

inlineoverridevirtual

Add reaction rate object to the evaluator.

Parameters

rxn_index	index of reaction
rate	reaction rate object

Implements MultiRateBase.

Definition at line 36 of file MultiRate.h.

References MultiRate< RateType, DataType >::m_rxn_rates, and MultiRate< RateType, DataType >::m_shared.

◆ replace()

virtual bool replace	(	size_t	rxn_index,
		ReactionRate &	rate
	)

inlineoverridevirtual

Replace reaction rate object handled by the evaluator.

Parameters

rxn_index	index of reaction
rate	reaction rate object

Implements MultiRateBase.

Definition at line 42 of file MultiRate.h.

References MultiRate< RateType, DataType >::m_rxn_rates, MultiRate< RateType, DataType >::m_shared, ReactionRate::type(), and MultiRate< RateType, DataType >::type().

◆ resize()

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

inlineoverridevirtual

Update number of species and reactions.

Parameters

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

Implements MultiRateBase.

Definition at line 62 of file MultiRate.h.

References MultiRate< RateType, DataType >::m_shared.

◆ getRateConstants()

virtual void getRateConstants ( double * kf )

inlineoverridevirtual

Evaluate all rate constants handled by the evaluator.

Parameters

kf	array of rate constants

Implements MultiRateBase.

Definition at line 67 of file MultiRate.h.

References MultiRate< RateType, DataType >::m_rxn_rates, and MultiRate< RateType, DataType >::m_shared.

◆ processRateConstants_ddT()

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

inlineoverridevirtual

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)

Implements MultiRateBase.

Definition at line 73 of file MultiRate.h.

References MultiRate< RateType, DataType >::_process_ddT().

◆ processRateConstants_ddP()

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

inlineoverridevirtual

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

Implements MultiRateBase.

Definition at line 82 of file MultiRate.h.

References MultiRate< RateType, DataType >::_process_ddP().

◆ processRateConstants_ddM()

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

inlineoverridevirtual

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

Implements MultiRateBase.

Definition at line 91 of file MultiRate.h.

References MultiRate< RateType, DataType >::_process_ddM().

◆ update() [1/4]

virtual void update ( double T )

inlineoverridevirtual

Update common reaction rate data based on temperature.

Only used in conjunction with evalSingle and ReactionRate::eval

Parameters

T	temperature [K]

Implements MultiRateBase.

Definition at line 101 of file MultiRate.h.

◆ update() [2/4]

virtual void update	(	double	T,
		double	extra
	)

inlineoverridevirtual

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)

Implements MultiRateBase.

Definition at line 106 of file MultiRate.h.

◆ update() [3/4]

virtual void update	(	double	T,
		const vector_fp &	extra
	)

inlineoverridevirtual

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.

Implements MultiRateBase.

Definition at line 111 of file MultiRate.h.

◆ update() [4/4]

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

inlineoverridevirtual

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

Implements MultiRateBase.

Definition at line 116 of file MultiRate.h.

References MultiRate< RateType, DataType >::_update(), and MultiRate< RateType, DataType >::m_shared.

◆ evalSingle()

virtual double evalSingle ( ReactionRate & rate )

inlineoverridevirtual

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.

Implements MultiRateBase.

Definition at line 126 of file MultiRate.h.

◆ _update() [1/2]

void _update ( )

inlineprotected

Helper function to process updates for rate types that implement the updateFromStruct method.

Definition at line 137 of file MultiRate.h.

References MultiRate< RateType, DataType >::m_rxn_rates, and MultiRate< RateType, DataType >::m_shared.

Referenced by MultiRate< RateType, DataType >::_process_ddM(), MultiRate< RateType, DataType >::_process_ddP(), MultiRate< RateType, DataType >::_process_ddT(), and MultiRate< RateType, DataType >::update().

◆ _update() [2/2]

void _update ( )

inlineprotected

Helper function for rate types that do not implement updateFromStruct.

Does nothing, but exists to allow generic implementations of update().

Definition at line 147 of file MultiRate.h.

◆ _updateRate() [1/2]

void _updateRate ( RateType & rate )

inlineprotected

Helper function to update a single rate that has an updateFromStruct method`.

Definition at line 153 of file MultiRate.h.

References MultiRate< RateType, DataType >::m_shared.

◆ _updateRate() [2/2]

void _updateRate ( RateType & rate )

inlineprotected

Helper function for single rate that does not implement updateFromStruct.

Exists to allow generic implementations of evalSingle and ddTSingle.

Definition at line 161 of file MultiRate.h.

◆ _process_ddT() [1/2]

void _process_ddT	(	double *	rop,
		const double *	kf,
		double	deltaT
	)

inlineprotected

Helper function to process temperature derivatives for rate types that implement the ddTScaledFromStruct method.

Definition at line 168 of file MultiRate.h.

References MultiRate< RateType, DataType >::m_rxn_rates, and MultiRate< RateType, DataType >::m_shared.

Referenced by MultiRate< RateType, DataType >::processRateConstants_ddT().

◆ _process_ddT() [2/2]

void _process_ddT	(	double *	rop,
		const double *	kf,
		double	deltaT
	)

inlineprotected

Helper function for rate types that do not implement ddTScaledFromStruct

Definition at line 177 of file MultiRate.h.

References MultiRate< RateType, DataType >::_update(), MultiRate< RateType, DataType >::m_rxn_rates, and MultiRate< RateType, DataType >::m_shared.

◆ _process_ddM() [1/2]

void _process_ddM	(	double *	rop,
		const double *	kf,
		double	deltaM,
		bool	overwrite
	)

inlineprotected

Helper function to process third-body derivatives for rate data that implement the perturbThirdBodies method.

Definition at line 201 of file MultiRate.h.

References MultiRate< RateType, DataType >::_update(), MultiRate< RateType, DataType >::m_rxn_rates, and MultiRate< RateType, DataType >::m_shared.

Referenced by MultiRate< RateType, DataType >::processRateConstants_ddM().

◆ _process_ddM() [2/2]

void _process_ddM	(	double *	rop,
		const double *	kf,
		double	deltaM,
		bool	overwrite
	)

inlineprotected

Helper function for rate data that do not implement perturbThirdBodies

Definition at line 224 of file MultiRate.h.

References MultiRate< RateType, DataType >::m_rxn_rates.

◆ _process_ddP() [1/2]

void _process_ddP	(	double *	rop,
		const double *	kf,
		double	deltaP
	)

inlineprotected

Helper function to process pressure derivatives for rate data that implement the perturbPressure method.

Definition at line 238 of file MultiRate.h.

References MultiRate< RateType, DataType >::_update(), MultiRate< RateType, DataType >::m_rxn_rates, and MultiRate< RateType, DataType >::m_shared.

Referenced by MultiRate< RateType, DataType >::processRateConstants_ddP().

◆ _process_ddP() [2/2]

void _process_ddP	(	double *	rop,
		const double *	kf,
		double	deltaP
	)

inlineprotected

Helper function for rate data that do not implement perturbPressure

Definition at line 258 of file MultiRate.h.

References MultiRate< RateType, DataType >::m_rxn_rates.

Member Data Documentation

◆ m_rxn_rates

std::vector<std::pair<size_t, RateType> > m_rxn_rates

protected

Vector of pairs of reaction rates indices and reaction rates.

Definition at line 265 of file MultiRate.h.

Referenced by MultiRate< RateType, DataType >::_process_ddM(), MultiRate< RateType, DataType >::_process_ddP(), MultiRate< RateType, DataType >::_process_ddT(), MultiRate< RateType, DataType >::_update(), MultiRate< RateType, DataType >::add(), MultiRate< RateType, DataType >::getRateConstants(), MultiRate< RateType, DataType >::replace(), and MultiRate< RateType, DataType >::type().

◆ m_indices

std::map<size_t, size_t> m_indices

protected

Definition at line 266 of file MultiRate.h.

◆ m_shared

DataType m_shared

protected

Mapping of indices.

Definition at line 267 of file MultiRate.h.

Referenced by MultiRate< RateType, DataType >::_process_ddM(), MultiRate< RateType, DataType >::_process_ddP(), MultiRate< RateType, DataType >::_process_ddT(), MultiRate< RateType, DataType >::_update(), MultiRate< RateType, DataType >::_updateRate(), MultiRate< RateType, DataType >::add(), MultiRate< RateType, DataType >::getRateConstants(), MultiRate< RateType, DataType >::replace(), MultiRate< RateType, DataType >::resize(), and MultiRate< RateType, DataType >::update().

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

MultiRate.h

Public Member Functions

Protected Member Functions

Protected Attributes

Detailed Description

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()

◆ _update() [1/2]

◆ _update() [2/2]

◆ _updateRate() [1/2]

◆ _updateRate() [2/2]

◆ _process_ddT() [1/2]

◆ _process_ddT() [2/2]

◆ _process_ddM() [1/2]

◆ _process_ddM() [2/2]

◆ _process_ddP() [1/2]

◆ _process_ddP() [2/2]

Member Data Documentation

◆ m_rxn_rates

◆ m_indices

◆ m_shared