ReactionSystem Class Reference

A class that represents a system of chemical reactions. More...

#include <ReactionSystem.hpp>

Public Member Functions
	ReactionSystem ()
	Construct a default ReactionSystem instances.
	ReactionSystem (const ChemicalSystem &system, const std::vector< Reaction > &reactions)
	Construct a ReactionSystem instance with given reactions.
virtual	~ReactionSystem ()
	Destroy this ReactionSystem instance.
auto	numReactions () const -> unsigned
	Return the number of reactions in the reaction system.
auto	indexReaction (std::string name) const -> Index
	Return the index of the reaction with given name.
auto	indexReactionWithError (std::string name) const -> Index
	Return the index of the reaction with given name. More...
auto	reactions () const -> const std::vector< Reaction > &
	Return the reactions in the reaction system.
auto	reaction (Index index) const -> const Reaction &
	Return the reaction in the reaction system with given index. More...
auto	reaction (std::string name) const -> const Reaction &
	Return the reaction in the reaction system with given name. More...
auto	stoichiometricMatrix () const -> MatrixConstRef
	Return the stoichiometric matrix of the reaction system.
auto	system () const -> const ChemicalSystem &
	Return the chemical system instance.
auto	lnEquilibriumConstants (const ChemicalProperties &properties) const -> ThermoVector
	Calculate the equilibrium constants of the reactions. More...
auto	lnReactionQuotients (const ChemicalProperties &properties) const -> ChemicalVector
	Calculate the reaction quotients of the reactions. More...
auto	rates (const ChemicalProperties &properties) const -> ChemicalVector
	Calculate the kinetic rates of the reactions. More...

Detailed Description

A class that represents a system of chemical reactions.

The ReactionSystem class is a collection of Reaction instances. It provides convenient methods that calculates the equilibrium constants, reaction quotients, and rates of the reactions.

See also

Reaction, ChemicalSystem, ChemicalSystem

Member Function Documentation

indexReactionWithError()

auto indexReactionWithError

(

std::string

name

)

const -> Index

Return the index of the reaction with given name.

It throws an exception if the element does not exist.

reaction() [1/2]

auto reaction

(

Index

index

)

const -> const Reaction&

Return the reaction in the reaction system with given index.

Parameters

index

The index of the reaction

reaction() [2/2]

auto reaction

(

std::string

name

)

const -> const Reaction&

Return the reaction in the reaction system with given name.

Parameters

name	The name of the reaction

lnEquilibriumConstants()

auto lnEquilibriumConstants

(

const ChemicalProperties &

properties

)

const -> ThermoVector

Calculate the equilibrium constants of the reactions.

Parameters

properties

The chemical properties of the system

lnReactionQuotients()

auto lnReactionQuotients

(

const ChemicalProperties &

properties

)

const -> ChemicalVector

Calculate the reaction quotients of the reactions.

Parameters

properties

The chemical properties of the system

rates()

auto rates

(

const ChemicalProperties &

properties

)

const -> ChemicalVector

Calculate the kinetic rates of the reactions.

Parameters

properties

The thermodynamic properties of the system

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

• Reaktoro/Core/ReactionSystem.hpp
• Reaktoro/Core/ReactionSystem.cpp