Data container holding shared data specific to Falloff rates. More...

#include <Falloff.h>

Inheritance diagram for FalloffData:

Collaboration diagram for FalloffData:

Public Member Functions
virtual bool	update (const ThermoPhase &phase, const Kinetics &kin) override
	Update data container based on thermodynamic phase state. More...

virtual void	update (double T) override
	Update data container based on temperature T More...

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

void	perturbThirdBodies (double deltaM)
	Perturb third-body concentration vector of data container. More...

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

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

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

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...

Public Member Functions inherited from ReactionData
void	perturbTemperature (double deltaT)
	Perturb temperature of data container. More...

Public Attributes
bool	ready
	boolean indicating whether vectors are accessible More...

double	molar_density
	used to determine if updates are needed More...

vector_fp	conc_3b
	vector of effective third-body concentrations More...

Public Attributes inherited from ReactionData
double	temperature
	temperature More...

double	logT
	logarithm of temperature More...

double	recipT
	inverse of temperature More...

Protected Attributes
int	m_state_mf_number
	integer that is incremented when composition changes More...

bool	m_perturbed
	boolean indicating whether 3-rd body values are perturbed More...

vector_fp	m_conc_3b_buf
	buffered third-body concentrations More...

Protected Attributes inherited from ReactionData
double	m_temperature_buf
	buffered temperature More...

Detailed Description

Data container holding shared data specific to Falloff rates.

The data container FalloffData holds precalculated data common to all Falloff related reaction rate classes.

Definition at line 30 of file Falloff.h.

Constructor & Destructor Documentation

◆ FalloffData()

FalloffData ( )

Definition at line 20 of file Falloff.cpp.

Member Function Documentation

◆ update() [1/7]

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

overridevirtual

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)

Implements ReactionData.

Definition at line 42 of file Falloff.cpp.

References Phase::molarDensity(), and Phase::stateMFNumber().

◆ update() [2/7]

void update ( double T )

overridevirtual

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 from ReactionData.

Definition at line 30 of file Falloff.cpp.

◆ update() [3/7]

void update	(	double	T,
		double	extra
	)

overridevirtual

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 from ReactionData.

Definition at line 36 of file Falloff.cpp.

◆ perturbThirdBodies()

void perturbThirdBodies ( double deltaM )

Perturb third-body concentration vector of data container.

The method is used for the evaluation of numerical derivatives.

Parameters

deltaM relative third-body perturbation

Definition at line 61 of file Falloff.cpp.

◆ restore()

void restore ( )

overridevirtual

Restore data container after a perturbation.

Reimplemented from ReactionData.

Definition at line 74 of file Falloff.cpp.

◆ resize()

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

inlineoverridevirtual

Update number of species, reactions and phases.

Reimplemented from ReactionData.

Definition at line 51 of file Falloff.h.

References FalloffData::conc_3b, FalloffData::m_conc_3b_buf, and FalloffData::ready.

◆ invalidateCache()

virtual void invalidateCache ( )

inlineoverridevirtual

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 from ReactionData.

Definition at line 57 of file Falloff.h.

References ReactionData::invalidateCache(), and FalloffData::molar_density.

◆ update() [4/7]

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 from ReactionData.

Definition at line 35 of file ReactionData.h.

◆ update() [5/7]

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 from ReactionData.

Definition at line 47 of file ReactionData.h.

◆ update() [6/7]

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 from ReactionData.

Definition at line 61 of file ReactionData.h.

◆ update() [7/7]

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

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)

Implements ReactionData.

Member Data Documentation

◆ ready

bool ready

boolean indicating whether vectors are accessible

Definition at line 62 of file Falloff.h.

Referenced by FalloffRate::evalFromStruct(), and FalloffData::resize().

◆ molar_density

double molar_density

used to determine if updates are needed

Definition at line 63 of file Falloff.h.

Referenced by FalloffData::invalidateCache().

◆ conc_3b

vector_fp conc_3b

vector of effective third-body concentrations

Definition at line 64 of file Falloff.h.

Referenced by FalloffRate::evalFromStruct(), and FalloffData::resize().

◆ m_state_mf_number

int m_state_mf_number

protected

integer that is incremented when composition changes

Definition at line 67 of file Falloff.h.

◆ m_perturbed

bool m_perturbed

protected

boolean indicating whether 3-rd body values are perturbed

Definition at line 68 of file Falloff.h.

◆ m_conc_3b_buf

vector_fp m_conc_3b_buf

protected

buffered third-body concentrations

Definition at line 69 of file Falloff.h.

Referenced by FalloffData::resize().

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

Public Member Functions

Public Attributes

Protected Attributes

Detailed Description

Constructor & Destructor Documentation

◆ FalloffData()

Member Function Documentation

◆ update() [1/7]

◆ update() [2/7]

◆ update() [3/7]

◆ perturbThirdBodies()

◆ restore()

◆ resize()

◆ invalidateCache()

◆ update() [4/7]

◆ update() [5/7]

◆ update() [6/7]

◆ update() [7/7]

Member Data Documentation

◆ ready

◆ molar_density

◆ conc_3b

◆ m_state_mf_number

◆ m_perturbed

◆ m_conc_3b_buf