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FalloffData Struct Reference

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

#include <Falloff.h>

Inheritance diagram for FalloffData:
[legend]

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 (Kinetics &kin) override
 Update array sizes that depend on 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, span< const double > extra)
 Update data container based on temperature T and a vector parameter extra.
Public Member Functions inherited from ReactionData
void perturbTemperature (double deltaT)
 Perturb temperature of data container.

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() [1/4]

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() [2/4]

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() [3/4]

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
deltaMrelative third-body perturbation

Definition at line 58 of file Falloff.cpp.

◆ restore()

void restore ( )
overridevirtual

Restore data container after a perturbation.

Reimplemented from ReactionData.

Definition at line 71 of file Falloff.cpp.

◆ resize()

void resize ( Kinetics & kin)
overridevirtual

Update array sizes that depend on number of species, reactions and phases.

Reimplemented from ReactionData.

Definition at line 82 of file Falloff.cpp.

◆ 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 42 of file Falloff.h.

◆ update() [4/4]

virtual void update ( double T,
span< const 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.

Member Data Documentation

◆ ready

bool ready = false

boolean indicating whether vectors are accessible

Definition at line 47 of file Falloff.h.

◆ molar_density

double molar_density = NAN

used to determine if updates are needed

Definition at line 48 of file Falloff.h.

◆ conc_3b

vector<double> conc_3b

vector of effective third-body concentrations

Definition at line 49 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 53 of file Falloff.h.

◆ m_perturbed

bool m_perturbed = false
protected

boolean indicating whether 3-rd body values are perturbed

Definition at line 55 of file Falloff.h.

◆ m_conc_3b_buf

vector<double> m_conc_3b_buf
protected

buffered third-body concentrations

Definition at line 56 of file Falloff.h.

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