ReactionData Struct Reference

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

#include <ReactionData.h>

Inheritance diagram for ReactionData:

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 26 of file ReactionData.h.

Public Member Functions
virtual void	update (double T)
	Update data container based on temperature T
virtual void	update (double T, double extra)
	Update data container based on temperature T and an extra parameter.
virtual void	update (double T, const vector< double > &extra)
	Update data container based on temperature T and a vector parameter extra
virtual bool	update (const ThermoPhase &phase, const Kinetics &kin)=0
	Update data container based on thermodynamic phase state.
void	perturbTemperature (double deltaT)
	Perturb temperature of data container.
virtual void	restore ()
	Restore data container after a perturbation.
virtual void	resize (size_t nSpecies, size_t nReactions, size_t nPhases)
	Update number of species, reactions and phases.
virtual void	invalidateCache ()
	Force shared data and reaction rates to be updated next time.

Public Attributes
double	temperature = 1.0
	temperature
double	logT = 0.0
	logarithm of temperature
double	recipT = 1.0
	inverse of temperature

Protected Attributes
double	m_temperature_buf = -1.0
	buffered temperature

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, ElectronCollisionPlasmaData, FalloffData, InterfaceData, LinearBurkeData, PlogData, ReactionDataDelegator, TwoTempPlasmaData, BlowersMaselData, ChebyshevData, FalloffData, InterfaceData, InterfaceData, PlogData, ReactionDataDelegator, and TwoTempPlasmaData.

Definition at line 38 of file ReactionData.h.

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, ElectronCollisionPlasmaData, FalloffData, InterfaceData, LinearBurkeData, PlogData, ReactionDataDelegator, TwoTempPlasmaData, FalloffData, ChebyshevData, LinearBurkeData, PlogData, and TwoTempPlasmaData.

Definition at line 50 of file ReactionData.h.

update() [3/4]

virtual void update ( double  T, const vector< double > &  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, ElectronCollisionPlasmaData, FalloffData, InterfaceData, LinearBurkeData, PlogData, ReactionDataDelegator, TwoTempPlasmaData, and InterfaceData.

Definition at line 64 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, ElectronCollisionPlasmaData, FalloffData, InterfaceData, LinearBurkeData, PlogData, ReactionDataDelegator, TwoTempPlasmaData, ArrheniusData, BlowersMaselData, ChebyshevData, ElectronCollisionPlasmaData, FalloffData, InterfaceData, LinearBurkeData, PlogData, ReactionDataDelegator, 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 82 of file ReactionData.h.

restore()

virtual void restore ( )

inlinevirtual

Restore data container after a perturbation.

Reimplemented in ChebyshevData, FalloffData, LinearBurkeData, and PlogData.

Definition at line 92 of file ReactionData.h.

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, InterfaceData, and LinearBurkeData.

Definition at line 102 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, ElectronCollisionPlasmaData, FalloffData, LinearBurkeData, PlogData, and TwoTempPlasmaData.

Definition at line 108 of file ReactionData.h.

Member Data Documentation

temperature

double temperature = 1.0

temperature

Definition at line 112 of file ReactionData.h.

logT

double logT = 0.0

logarithm of temperature

Definition at line 113 of file ReactionData.h.

recipT

double recipT = 1.0

inverse of temperature

Definition at line 114 of file ReactionData.h.

m_temperature_buf

double m_temperature_buf = -1.0

protected

buffered temperature

Definition at line 117 of file ReactionData.h.

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

• ReactionData.h