Cantera
3.1.0a1
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Data container holding shared data specific to Falloff rates. More...
#include <Falloff.h>
Data container holding shared data specific to Falloff rates.
The data container FalloffData
holds precalculated data common to all Falloff related reaction rate classes.
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... | |
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overridevirtual |
Update data container based on thermodynamic phase state.
This update mechanism is used by Kinetics reaction rate evaluators.
evalFromStruct
method needs to be called (assuming previously-calculated values were cached) Implements ReactionData.
Definition at line 38 of file Falloff.cpp.
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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.
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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.
void perturbThirdBodies | ( | double | deltaM | ) |
Perturb third-body concentration vector of data container.
The method is used for the evaluation of numerical derivatives.
deltaM | relative third-body perturbation |
Definition at line 57 of file Falloff.cpp.
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overridevirtual |
Restore data container after a perturbation.
Reimplemented from ReactionData.
Definition at line 70 of file Falloff.cpp.
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inlineoverridevirtual |
Update number of species, reactions and phases.
Reimplemented from ReactionData.
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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.
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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.
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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.
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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.
Definition at line 62 of file ReactionData.h.
virtual bool update |
Update data container based on thermodynamic phase state.
This update mechanism is used by Kinetics reaction rate evaluators.
evalFromStruct
method needs to be called (assuming previously-calculated values were cached) bool ready = false |
double molar_density = NAN |
vector<double> conc_3b |
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protected |
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protected |
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protected |