Cantera  2.3.0
Public Member Functions | Public Attributes | List of all members
Reaction Class Reference

Intermediate class which stores data about a reaction and its rate parameterization so that it can be added to a Kinetics object. More...

#include <Reaction.h>

Inheritance diagram for Reaction:
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Public Member Functions

 Reaction (int type)
 
 Reaction (int type, const Composition &reactants, const Composition &products)
 
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...
 
std::string equation () const
 The chemical equation for this reaction. More...
 
virtual void validate ()
 Ensure that the rate constant and other parameters for this reaction are valid. More...
 

Public Attributes

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...
 

Detailed Description

Intermediate class which stores data about a reaction and its rate parameterization so that it can be added to a Kinetics object.

Definition at line 22 of file Reaction.h.

Member Function Documentation

◆ reactantString()

std::string reactantString ( ) const
virtual

The reactant side of the chemical equation for this reaction.

Reimplemented in FalloffReaction, and ThreeBodyReaction.

Definition at line 59 of file Reaction.cpp.

Referenced by ThreeBodyReaction::reactantString(), and FalloffReaction::reactantString().

◆ productString()

std::string productString ( ) const
virtual

The product side of the chemical equation for this reaction.

Reimplemented in FalloffReaction, and ThreeBodyReaction.

Definition at line 74 of file Reaction.cpp.

Referenced by ThreeBodyReaction::productString(), and FalloffReaction::productString().

◆ equation()

std::string equation ( ) const

The chemical equation for this reaction.

Definition at line 89 of file Reaction.cpp.

Referenced by InterfaceKinetics::buildSurfaceArrhenius(), ElementaryReaction::validate(), FalloffReaction::validate(), and PlogReaction::validate().

◆ validate()

void validate ( )
virtual

Ensure that the rate constant and other parameters for this reaction are valid.

Reimplemented in PlogReaction, FalloffReaction, and ElementaryReaction.

Definition at line 38 of file Reaction.cpp.

Referenced by ElementaryReaction::validate(), FalloffReaction::validate(), and PlogReaction::validate().

Member Data Documentation

◆ reaction_type

int reaction_type

Type of the reaction.

The valid types are listed in the file, reaction_defs.h, with constants ending in RXN.

Definition at line 45 of file Reaction.h.

Referenced by InterfaceKinetics::addReaction().

◆ reactants

Composition reactants

Reactant species and stoichiometric coefficients.

Definition at line 48 of file Reaction.h.

Referenced by InterfaceKinetics::addReaction(), and InterfaceKinetics::buildSurfaceArrhenius().

◆ products

Composition products

Product species and stoichiometric coefficients.

Definition at line 51 of file Reaction.h.

Referenced by InterfaceKinetics::addReaction().

◆ orders

Composition orders

Forward reaction order with respect to specific species.

By default, mass-action kinetics is assumed, with the reaction order equal to each reactant's stoichiometric coefficient.

Definition at line 56 of file Reaction.h.

Referenced by InterfaceKinetics::addReaction(), and InterfaceKinetics::buildSurfaceArrhenius().

◆ id

std::string id

An identification string for the reaction, used in some filtering operations.

Definition at line 60 of file Reaction.h.

◆ reversible

bool reversible

True if the current reaction is reversible. False otherwise.

Definition at line 63 of file Reaction.h.

Referenced by InterfaceKinetics::addReaction().

◆ duplicate

bool duplicate

True if the current reaction is marked as duplicate.

Definition at line 66 of file Reaction.h.

◆ allow_nonreactant_orders

bool allow_nonreactant_orders

True if reaction orders can be specified for non-reactant species.

Default is false.

Definition at line 70 of file Reaction.h.

◆ allow_negative_orders

bool allow_negative_orders

True if negative reaction orders are allowed. Default is false.

Definition at line 73 of file Reaction.h.


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