Cantera  3.1.0a1
FalloffData Struct Reference

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

#include <Falloff.h>

Inheritance diagram for FalloffData:
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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. More...
 
void update (double T) override
 Update data container based on temperature T More...
 
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...
 
void restore () override
 Restore data container after a perturbation. More...
 
void resize (size_t nSpecies, size_t nReactions, size_t nPhases) override
 Update number of species, reactions and phases. More...
 
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< double > &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
virtual void update (double T, const vector< double > &extra)
 Update data container based on temperature T and a vector parameter extra More...
 
void perturbTemperature (double deltaT)
 Perturb temperature of data container. More...
 

Public Attributes

bool ready = false
 boolean indicating whether vectors are accessible More...
 
double molar_density = NAN
 used to determine if updates are needed More...
 
vector< double > conc_3b
 vector of effective third-body concentrations More...
 
- Public Attributes inherited from ReactionData
double temperature = 1.0
 temperature More...
 
double logT = 0.0
 logarithm of temperature More...
 
double recipT = 1.0
 inverse of temperature More...
 

Protected Attributes

int m_state_mf_number = -1
 integer that is incremented when composition changes More...
 
bool m_perturbed = false
 boolean indicating whether 3-rd body values are perturbed More...
 
vector< double > m_conc_3b_buf
 buffered third-body concentrations More...
 
- Protected Attributes inherited from ReactionData
double m_temperature_buf = -1.0
 buffered temperature More...
 

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
deltaMrelative 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
inline

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.

Definition at line 36 of file ReactionData.h.

◆ update() [5/7]

virtual void update
inline

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.

Definition at line 48 of file ReactionData.h.

◆ update() [6/7]

virtual void update
inline

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.

Definition at line 62 of file ReactionData.h.

◆ update() [7/7]

virtual bool update

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)

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: