Cantera 2.6.0
Public Member Functions | List of all members
ThreeBodyReaction3 Class Reference

A reaction with a non-reacting third body "M" that acts to add or remove energy from the reacting species. More...

#include <Reaction.h>

Inheritance diagram for ThreeBodyReaction3:
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Collaboration diagram for ThreeBodyReaction3:
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Public Member Functions

 ThreeBodyReaction3 (const Composition &reactants, const Composition &products, const ArrheniusRate &rate, const ThirdBody &tbody)
 
 ThreeBodyReaction3 (const AnyMap &node, const Kinetics &kin)
 
virtual std::string type () const
 The type of reaction. More...
 
virtual void setEquation (const std::string &equation, const Kinetics *kin=0)
 Set the reactants and products based on the reaction equation. More...
 
bool detectEfficiencies ()
 
virtual void setParameters (const AnyMap &node, const Kinetics &kin)
 Set up reaction based on AnyMap node More...
 
virtual void getParameters (AnyMap &reactionNode) const
 Store the parameters of a Reaction needed to reconstruct an identical object using the newReaction(AnyMap&, Kinetics&) function. More...
 
virtual std::string reactantString () const
 The reactant side of the chemical equation for this reaction. More...
 
virtual std::string productString () const
 The product side of the chemical equation for this reaction. More...
 
- Public Member Functions inherited from Reaction
 Reaction (const Composition &reactants, const Composition &products, shared_ptr< ReactionRate > rate={})
 
 Reaction (const AnyMap &node, const Kinetics &kin)
 Construct a Reaction and it's corresponding ReactionRate based on AnyMap (YAML) input. More...
 
 Reaction (int type)
 
 Reaction (int type, const Composition &reactants, const Composition &products)
 
std::string equation () const
 The chemical equation for this reaction. More...
 
virtual void calculateRateCoeffUnits (const Kinetics &kin)
 Calculate the units of the rate constant. More...
 
UnitStack calculateRateCoeffUnits3 (const Kinetics &kin)
 Calculate the units of the rate constant. More...
 
virtual void validate ()
 Ensure that the rate constant and other parameters for this reaction are valid. More...
 
virtual void validate (Kinetics &kin)
 Perform validation checks that need access to a complete Kinetics objects, for. More...
 
AnyMap parameters (bool withInput=true) const
 Return the parameters such that an identical Reaction could be reconstructed using the newReaction() function. More...
 
bool valid () const
 Get validity flag of reaction. More...
 
void setValid (bool valid)
 Set validity flag of reaction. More...
 
void checkBalance (const Kinetics &kin) const
 Check that the specified reaction is balanced (same number of atoms for each element in the reactants and products). More...
 
bool checkSpecies (const Kinetics &kin) const
 Verify that all species involved in the reaction are defined in the Kinetics object. More...
 
bool usesElectrochemistry (const Kinetics &kin) const
 Check whether reaction uses electrochemistry. More...
 
shared_ptr< ReactionRaterate ()
 Get reaction rate pointer. More...
 
void setRate (shared_ptr< ReactionRate > rate)
 Set reaction rate pointer. More...
 
shared_ptr< ThirdBodythirdBody ()
 Get pointer to third-body. More...
 
bool usesLegacy () const
 Indicate whether object uses legacy framework. More...
 

Additional Inherited Members

- Public Attributes inherited from Reaction
int reaction_type
 Type of the reaction. More...
 
Composition reactants
 Reactant species and stoichiometric coefficients. More...
 
Composition products
 Product species and stoichiometric coefficients. More...
 
Composition orders
 Forward reaction order with respect to specific species. More...
 
std::string id
 An identification string for the reaction, used in some filtering operations. More...
 
bool reversible
 True if the current reaction is reversible. False otherwise. More...
 
bool duplicate
 True if the current reaction is marked as duplicate. More...
 
bool allow_nonreactant_orders
 True if reaction orders can be specified for non-reactant species. More...
 
bool allow_negative_orders
 True if negative reaction orders are allowed. Default is false. More...
 
AnyMap input
 Input data used for specific models. More...
 
Units rate_units
 The units of the rate constant. More...
 
- Protected Member Functions inherited from Reaction
virtual std::pair< std::vector< std::string >, bool > undeclaredThirdBodies (const Kinetics &kin) const
 
- Protected Attributes inherited from Reaction
bool m_valid
 Flag indicating whether reaction is set up correctly. More...
 
shared_ptr< ReactionRatem_rate
 Reaction rate used by generic reactions. More...
 
shared_ptr< ThirdBodym_third_body
 Relative efficiencies of third-body species in enhancing the reaction rate (if applicable) More...
 

Detailed Description

A reaction with a non-reacting third body "M" that acts to add or remove energy from the reacting species.

Definition at line 474 of file Reaction.h.

Constructor & Destructor Documentation

◆ ThreeBodyReaction3() [1/3]

Definition at line 980 of file Reaction.cpp.

◆ ThreeBodyReaction3() [2/3]

ThreeBodyReaction3 ( const Composition reactants,
const Composition products,
const ArrheniusRate rate,
const ThirdBody tbody 
)

Definition at line 986 of file Reaction.cpp.

◆ ThreeBodyReaction3() [3/3]

ThreeBodyReaction3 ( const AnyMap node,
const Kinetics kin 
)

Definition at line 995 of file Reaction.cpp.

Member Function Documentation

◆ type()

virtual std::string type ( ) const
inlinevirtual

The type of reaction.

Reimplemented from Reaction.

Definition at line 483 of file Reaction.h.

◆ setEquation()

void setEquation ( const std::string &  equation,
const Kinetics kin = 0 
)
virtual

Set the reactants and products based on the reaction equation.

If a Kinetics object is provided, it is used to check that all reactants and products exist.

Reimplemented from Reaction.

Definition at line 1046 of file Reaction.cpp.

References Reaction::equation(), Reaction::input, Reaction::products, Reaction::reactants, and Reaction::setEquation().

◆ detectEfficiencies()

bool detectEfficiencies ( )

Definition at line 1006 of file Reaction.cpp.

◆ setParameters()

void setParameters ( const AnyMap node,
const Kinetics kin 
)
virtual

Set up reaction based on AnyMap node

Reimplemented from Reaction.

Definition at line 1062 of file Reaction.cpp.

References AnyMap::empty(), Reaction::m_third_body, and Reaction::setParameters().

◆ getParameters()

void getParameters ( AnyMap reactionNode) const
virtual

Store the parameters of a Reaction needed to reconstruct an identical object using the newReaction(AnyMap&, Kinetics&) function.

Does not include user-defined fields available in the input map.

Reimplemented from Reaction.

Definition at line 1074 of file Reaction.cpp.

References Reaction::getParameters(), Reaction::m_third_body, and AnyMap::setFlowStyle().

◆ reactantString()

std::string reactantString ( ) const
virtual

The reactant side of the chemical equation for this reaction.

Reimplemented from Reaction.

Definition at line 1087 of file Reaction.cpp.

References Reaction::m_third_body, and Reaction::reactantString().

◆ productString()

std::string productString ( ) const
virtual

The product side of the chemical equation for this reaction.

Reimplemented from Reaction.

Definition at line 1097 of file Reaction.cpp.

References Reaction::m_third_body, and Reaction::productString().


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