Cantera
3.1.0a1
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A class template handling ReactionRate specializations. More...
#include <MultiRate.h>
A class template handling ReactionRate specializations.
Definition at line 21 of file MultiRate.h.
Public Member Functions | |
string | type () override |
Identifier of reaction rate type. More... | |
void | add (size_t rxn_index, ReactionRate &rate) override |
Add reaction rate object to the evaluator. More... | |
bool | replace (size_t rxn_index, ReactionRate &rate) override |
Replace reaction rate object handled by the evaluator. More... | |
void | resize (size_t nSpecies, size_t nReactions, size_t nPhases) override |
Update number of species and reactions. More... | |
void | getRateConstants (double *kf) override |
Evaluate all rate constants handled by the evaluator. More... | |
void | processRateConstants_ddT (double *rop, const double *kf, double deltaT) override |
Evaluate all rate constant temperature derivatives handled by the evaluator; which are multiplied with the array of rate-of-progress variables. More... | |
void | processRateConstants_ddP (double *rop, const double *kf, double deltaP) override |
Evaluate all rate constant pressure derivatives handled by the evaluator; which are multiplied with the array of rate-of-progress variables. More... | |
void | processRateConstants_ddM (double *rop, const double *kf, double deltaM, bool overwrite=true) override |
Evaluate all rate constant third-body derivatives handled by the evaluator; which are multiplied with the array of rate-of-progress variables. More... | |
void | update (double T) override |
Update common reaction rate data based on temperature. More... | |
void | update (double T, double extra) override |
Update common reaction rate data based on temperature and extra parameter. More... | |
void | update (double T, const vector< double > &extra) override |
Update common reaction rate data based on temperature and extra parameter. More... | |
bool | update (const ThermoPhase &phase, const Kinetics &kin) override |
Update data common to reaction rates of a specific type. More... | |
double | evalSingle (ReactionRate &rate) override |
Get the rate for a single reaction. More... | |
DataType & | sharedData () |
Access the underlying shared data object. More... | |
Protected Member Functions | |
void | _update () |
Helper function to process updates. More... | |
Protected Attributes | |
vector< pair< size_t, RateType > > | m_rxn_rates |
Vector of pairs of reaction rates indices and reaction rates. More... | |
map< size_t, size_t > | m_indices |
DataType | m_shared |
Mapping of indices. More... | |
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inlineoverridevirtual |
Identifier of reaction rate type.
Implements MultiRateBase.
Definition at line 29 of file MultiRate.h.
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inlineoverridevirtual |
Add reaction rate object to the evaluator.
rxn_index | index of reaction |
rate | reaction rate object |
Implements MultiRateBase.
Definition at line 37 of file MultiRate.h.
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inlineoverridevirtual |
Replace reaction rate object handled by the evaluator.
rxn_index | index of reaction |
rate | reaction rate object |
Implements MultiRateBase.
Definition at line 43 of file MultiRate.h.
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inlineoverridevirtual |
Update number of species and reactions.
nSpecies | number of species |
nReactions | number of reactions |
nPhases | number of phases |
Implements MultiRateBase.
Definition at line 63 of file MultiRate.h.
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inlineoverridevirtual |
Evaluate all rate constants handled by the evaluator.
kf | array of rate constants |
Implements MultiRateBase.
Definition at line 68 of file MultiRate.h.
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inlineoverridevirtual |
Evaluate all rate constant temperature derivatives handled by the evaluator; which are multiplied with the array of rate-of-progress variables.
Depending on the implementation of a rate object, either an exact derivative or a numerical approximation may be used.
[in,out] | rop | array of rop, which is modified by the method; contains rop on input, and d(rop)/dT on output |
kf | array of forward rate constants (numerical derivative only) | |
deltaT | relative temperature perturbation (numerical derivative only) |
Implements MultiRateBase.
Definition at line 74 of file MultiRate.h.
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inlineoverridevirtual |
Evaluate all rate constant pressure derivatives handled by the evaluator; which are multiplied with the array of rate-of-progress variables.
[in,out] | rop | array of rop, which is modified by the method; contains rop on input, and d(rop)/dP on output |
kf | array of forward rate constants | |
deltaP | relative pressure perturbation |
Implements MultiRateBase.
Definition at line 100 of file MultiRate.h.
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inlineoverridevirtual |
Evaluate all rate constant third-body derivatives handled by the evaluator; which are multiplied with the array of rate-of-progress variables.
[in,out] | rop | array of rop, which is modified by the method; contains rop on input, and d(rop)/dM on output |
kf | array of forward rate constants | |
deltaM | relative perturbation of third-body concentrations | |
overwrite | if true , rop entries not affected by M are set to zero |
Implements MultiRateBase.
Definition at line 124 of file MultiRate.h.
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inlineoverridevirtual |
Update common reaction rate data based on temperature.
Only used in conjunction with evalSingle and ReactionRate::eval
T | temperature [K] |
Implements MultiRateBase.
Definition at line 156 of file MultiRate.h.
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inlineoverridevirtual |
Update common reaction rate data based on temperature and extra parameter.
Only used in conjunction with evalSingle and ReactionRate::eval
T | temperature [K] |
extra | extra parameter (depends on parameterization) |
Implements MultiRateBase.
Definition at line 161 of file MultiRate.h.
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inlineoverridevirtual |
Update common reaction rate data based on temperature and extra parameter.
Only used in conjunction with evalSingle and ReactionRate::eval
T | temperature [K] |
extra | extra vector parameter (depends on parameterization) |
Implements MultiRateBase.
Definition at line 166 of file MultiRate.h.
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inlineoverridevirtual |
Update data common to reaction rates of a specific type.
This update mechanism is used by Kinetics reaction rate evaluators.
phase | object representing reacting phase |
kin | object representing kinetics |
Implements MultiRateBase.
Definition at line 171 of file MultiRate.h.
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inlineoverridevirtual |
Get the rate for a single reaction.
Used to implement ReactionRate::eval, which allows for the evaluation of a reaction rate expression outside of Kinetics reaction rate evaluators. Mainly used for testing purposes.
Implements MultiRateBase.
Definition at line 181 of file MultiRate.h.
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inline |
Access the underlying shared data object.
Used for setting up ReactionDataDelegator instances.
Definition at line 191 of file MultiRate.h.
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inlineprotected |
Helper function to process updates.
Definition at line 197 of file MultiRate.h.
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protected |
Vector of pairs of reaction rates indices and reaction rates.
Definition at line 206 of file MultiRate.h.
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protected |
Mapping of indices.
Definition at line 208 of file MultiRate.h.