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

#include <Falloff.h>

Inheritance diagram for FalloffData:

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 20 of file Falloff.h.

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

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

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

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

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

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

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

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.

Public Member Functions inherited from ReactionData
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
bool	ready = false
	boolean indicating whether vectors are accessible

double	molar_density = NAN
	used to determine if updates are needed

vector< double >	conc_3b
	vector of effective third-body concentrations

Public Attributes inherited from ReactionData
double	temperature = 1.0
	temperature

double	logT = 0.0
	logarithm of temperature

double	recipT = 1.0
	inverse of temperature

Protected Attributes
int	m_state_mf_number = -1
	integer that is incremented when composition changes

bool	m_perturbed = false
	boolean indicating whether 3-rd body values are perturbed

vector< double >	m_conc_3b_buf
	buffered third-body concentrations

Protected Attributes inherited from ReactionData
double	m_temperature_buf = -1.0
	buffered temperature

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 38 of file Falloff.cpp.

◆ 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 26 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 32 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 57 of file Falloff.cpp.

◆ restore()

void restore ( )

overridevirtual

Restore data container after a perturbation.

Reimplemented from ReactionData.

Definition at line 70 of file Falloff.cpp.

◆ resize()

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 41 of file Falloff.h.

◆ invalidateCache()

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 47 of file Falloff.h.

◆ 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 38 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 50 of file ReactionData.h.

◆ update() [6/7]

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 from ReactionData.

Definition at line 64 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 = false

boolean indicating whether vectors are accessible

Definition at line 52 of file Falloff.h.

◆ molar_density

double molar_density = NAN

used to determine if updates are needed

Definition at line 53 of file Falloff.h.

◆ conc_3b

vector<double> conc_3b

vector of effective third-body concentrations

Definition at line 54 of file Falloff.h.

◆ m_state_mf_number

int m_state_mf_number = -1

protected

integer that is incremented when composition changes

Definition at line 58 of file Falloff.h.

◆ m_perturbed

bool m_perturbed = false

protected

boolean indicating whether 3-rd body values are perturbed

Definition at line 60 of file Falloff.h.

◆ m_conc_3b_buf

vector<double> m_conc_3b_buf

protected

buffered third-body concentrations

Definition at line 61 of file Falloff.h.

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

Detailed Description

Public Member Functions

Public Attributes

Protected Attributes

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