Data container holding shared data used for ReactionRate calculation. More...

#include <ReactionData.h>

Inheritance diagram for ReactionData:

Public Member Functions
virtual void	update (double T)
	Update data container based on temperature T More...

virtual void	update (double T, double extra)
	Update data container based on temperature T and an extra parameter. More...

virtual void	update (double T, const vector_fp &extra)
	Update data container based on temperature T and a vector parameter extra More...

virtual bool	update (const ThermoPhase &phase, const Kinetics &kin)=0
	Update data container based on thermodynamic phase state. More...

void	perturbTemperature (double deltaT)
	Perturb temperature of data container. More...

virtual void	restore ()
	Restore data container after a perturbation. More...

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

virtual void	invalidateCache ()
	Force shared data and reaction rates to be updated next time. More...

Public Attributes
double	temperature
	temperature More...

double	logT
	logarithm of temperature More...

double	recipT
	inverse of temperature More...

Protected Attributes
double	m_temperature_buf
	buffered temperature More...

Detailed Description

Data container holding shared data used for ReactionRate calculation.

The base class defines variables and methods used by all specializations.

Definition at line 25 of file ReactionData.h.

Constructor & Destructor Documentation

◆ ReactionData()

ReactionData ( )

inline

Definition at line 27 of file ReactionData.h.

Member Function Documentation

◆ update() [1/4]

virtual void update ( double T )

inlinevirtual

Update data container based on temperature T

Only used in conjunction with MultiRateBase::evalSingle / ReactionRate::eval. This method allows for testing of a reaction rate expression outside of Kinetics reaction rate evaluators.

Reimplemented in ArrheniusData, BlowersMaselData, ChebyshevData, FalloffData, InterfaceData, PlogData, TwoTempPlasmaData, BlowersMaselData, ChebyshevData, FalloffData, InterfaceData, InterfaceData, PlogData, and TwoTempPlasmaData.

Definition at line 35 of file ReactionData.h.

Referenced by ReactionData::perturbTemperature(), and ReactionData::restore().

◆ update() [2/4]

virtual void update	(	double	T,
		double	extra
	)

inlinevirtual

Update data container based on temperature T and an extra parameter.

Only used in conjunction with MultiRateBase::evalSingle / ReactionRate::eval. This method allows for testing of a reaction rate expression outside of Kinetics reaction rate evaluators.

Reimplemented in ArrheniusData, BlowersMaselData, ChebyshevData, FalloffData, InterfaceData, PlogData, TwoTempPlasmaData, FalloffData, ChebyshevData, PlogData, and TwoTempPlasmaData.

Definition at line 47 of file ReactionData.h.

◆ update() [3/4]

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

inlinevirtual

Update data container based on temperature T and a vector parameter extra

Only used in conjunction with MultiRateBase::evalSingle / ReactionRate::eval. This method allows for testing of a reaction rate expression outside of Kinetics reaction rate evaluators.

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

Reimplemented in ArrheniusData, BlowersMaselData, ChebyshevData, FalloffData, InterfaceData, PlogData, TwoTempPlasmaData, and InterfaceData.

Definition at line 61 of file ReactionData.h.

◆ update() [4/4]

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

pure virtual

Update data container based on thermodynamic phase state.

This update mechanism is used by Kinetics reaction rate evaluators.

Returns: A boolean element indicating whether the evalFromStruct method needs to be called (assuming previously-calculated values were cached)

Implemented in InterfaceData, ArrheniusData, BlowersMaselData, ChebyshevData, FalloffData, InterfaceData, PlogData, TwoTempPlasmaData, ArrheniusData, BlowersMaselData, ChebyshevData, FalloffData, InterfaceData, PlogData, and TwoTempPlasmaData.

◆ perturbTemperature()

void perturbTemperature ( double deltaT )

inline

Perturb temperature of data container.

The method is used for the evaluation of numerical derivatives.

Parameters

deltaT relative temperature perturbation

Definition at line 79 of file ReactionData.h.

References ReactionData::m_temperature_buf, ReactionData::temperature, and ReactionData::update().

◆ restore()

virtual void restore ( )

inlinevirtual

Restore data container after a perturbation.

Reimplemented in ChebyshevData, FalloffData, and PlogData.

Definition at line 89 of file ReactionData.h.

References ReactionData::m_temperature_buf, and ReactionData::update().

Referenced by ChebyshevData::restore(), and PlogData::restore().

◆ resize()

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

inlinevirtual

Update number of species, reactions and phases.

Reimplemented in BlowersMaselData, FalloffData, and InterfaceData.

Definition at line 99 of file ReactionData.h.

◆ invalidateCache()

virtual void invalidateCache ( )

inlinevirtual

Force shared data and reaction rates to be updated next time.

This is called by functions that change quantities affecting rate calculations that are normally assumed to be constant, like the reaction rate parameters or the number of reactions.

Reimplemented in ChebyshevData, FalloffData, PlogData, and TwoTempPlasmaData.

Definition at line 105 of file ReactionData.h.

References ReactionData::temperature.

Referenced by ChebyshevData::invalidateCache(), FalloffData::invalidateCache(), PlogData::invalidateCache(), and TwoTempPlasmaData::invalidateCache().