The Lindemann falloff parameterization. More...
#include <Falloff.h>
Inheritance diagram for LindemannRate:
Collaboration diagram for LindemannRate:
Public Member Functions | |
| LindemannRate (const AnyMap &node, const UnitStack &rate_units={}) | |
| LindemannRate (const ArrheniusRate &low, const ArrheniusRate &high, const vector_fp &c) | |
| unique_ptr< MultiRateBase > | newMultiRate () const |
| Create a rate evaluator for reactions of a particular derived type. More... | |
| virtual const std::string | type () const |
| String identifying reaction rate specialization. More... | |
 Public Member Functions inherited from FalloffRate | |
| FalloffRate (const AnyMap &node, const UnitStack &rate_units={}) | |
| void | init (const vector_fp &c) |
| Initialize. More... | |
| virtual void | setFalloffCoeffs (const vector_fp &c) |
| Set coefficients of the falloff parameterization. More... | |
| virtual void | getFalloffCoeffs (vector_fp &c) const |
| Retrieve coefficients of the falloff parameterization. More... | |
| virtual void | updateTemp (double T, double *work) const |
| Update the temperature-dependent portions of the falloff function, if any, and store them in the 'work' array. More... | |
| virtual double | F (double pr, const double *work) const |
| The falloff function. More... | |
| double | evalF (double T, double conc3b) |
| Evaluate falloff function at current conditions. More... | |
| virtual size_t | workSize () const |
| The size of the work array required. More... | |
| virtual size_t | nParameters () const |
| Returns the number of parameters used by this parameterization. More... | |
| virtual void | setParameters (const AnyMap &node, const UnitStack &rate_units) |
| Set parameters. More... | |
| virtual void | getParameters (double *params) const |
| Get the values of the parameters for this object. More... | |
| virtual void | getParameters (AnyMap &node) const |
| Get parameters. More... | |
| virtual double | evalFromStruct (const FalloffData &shared_data) |
| Evaluate reaction rate. More... | |
| void | check (const std::string &equation, const AnyMap &node) |
| Check basic syntax and settings of reaction rate expression. More... | |
| virtual void | validate (const std::string &equation, const Kinetics &kin) |
| Validate the reaction rate expression. More... | |
| bool | allowNegativePreExponentialFactor () const |
| Get flag indicating whether negative A values are permitted. More... | |
| void | setAllowNegativePreExponentialFactor (bool value) |
| Set flag indicating whether negative A values are permitted. More... | |
| bool | chemicallyActivated () const |
| Get flag indicating whether reaction is chemically activated. More... | |
| void | setChemicallyActivated (bool activated) |
| Set flag indicating whether reaction is chemically activated. More... | |
| ArrheniusRate & | lowRate () |
| Get reaction rate in the low-pressure limit. More... | |
| void | setLowRate (const ArrheniusRate &low) |
| Set reaction rate in the low-pressure limit. More... | |
| ArrheniusRate & | highRate () |
| Get reaction rate in the high-pressure limit. More... | |
| void | setHighRate (const ArrheniusRate &high) |
| Set reaction rate in the high-pressure limit. More... | |
| Public Member Functions inherited from ReactionRate | |
| ReactionRate (const ReactionRate &other) | |
| ReactionRate & | operator= (const ReactionRate &other) |
| AnyMap | parameters () const |
| Return the parameters such that an identical Reaction could be reconstructed using the newReaction() function. More... | |
| virtual void | validate (const std::string &equation) |
| Validate the reaction rate expression (legacy call) More... | |
| size_t | rateIndex () const |
| Reaction rate index within kinetics evaluator. More... | |
| void | setRateIndex (size_t idx) |
| Set reaction rate index within kinetics evaluator. More... | |
| virtual void | setContext (const Reaction &rxn, const Kinetics &kin) |
| Set context of reaction rate evaluation. More... | |
| double | eval (double T) |
| Evaluate reaction rate based on temperature. More... | |
| double | eval (double T, double extra) |
| Evaluate reaction rate based on temperature and an extra parameter. More... | |
| double | eval (double T, const std::vector< double > &extra) |
| Evaluate reaction rate based on temperature and an extra vector parameter. More... | |
Additional Inherited Members | |
| Protected Attributes inherited from FalloffRate | |
| ArrheniusRate | m_lowRate |
| The reaction rate in the low-pressure limit. More... | |
| ArrheniusRate | m_highRate |
| The reaction rate in the high-pressure limit. More... | |
| bool | m_chemicallyActivated |
| Flag labeling reaction as chemically activated. More... | |
| bool | m_negativeA_ok |
| Flag indicating whether negative A values are permitted. More... | |
| double | m_rc_low |
| Evaluated reaction rate in the low-pressure limit. More... | |
| double | m_rc_high |
| Evaluated reaction rate in the high-pressure limit. More... | |
| vector_fp | m_work |
| Work vector. More... | |
| Protected Attributes inherited from ReactionRate | |
| AnyMap | m_input |
| Input data used for specific models. More... | |
| size_t | m_rate_index |
| Index of reaction rate within kinetics evaluator. More... | |
Detailed Description
The Lindemann falloff parameterization.
This class implements the trivial falloff function F = 1.0.
Constructor & Destructor Documentation
◆ LindemannRate() [1/2]
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inline |
◆ LindemannRate() [2/2]
|
inline |
Member Function Documentation
◆ newMultiRate()
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inlinevirtual |
Create a rate evaluator for reactions of a particular derived type.
Derived classes usually implement this as:
unique_ptr<MultiRateBase> newMultiRate() const override {
return unique_ptr<MultiRateBase>(new MultiRate<RateType, DataType>);
unique_ptr< MultiRateBase > newMultiRate() const
Create a rate evaluator for reactions of a particular derived type.
Definition: Falloff.h:295
where RateType is the derived class name and DataType is the corresponding container for parameters needed to evaluate reactions of that type.
Reimplemented from ReactionRate.
◆ type()
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inlinevirtual |
String identifying reaction rate specialization.
Reimplemented from FalloffRate.
The documentation for this class was generated from the following file:
