EquilibriumReactions Class Reference

A class that generates a system of equilibrium reactions written in terms of master and secondary species. More...

#include <EquilibriumReactions.hpp>

Public Member Functions
	EquilibriumReactions (const ChemicalSystem &system)
	Construct an EquilibriumReactions instance.
	EquilibriumReactions (const ChemicalSystem &system, const Partition &partition)
	Construct an EquilibriumReactions instance.
	EquilibriumReactions (const EquilibriumReactions &other)
	Construct a copy of an EquilibriumReactions instance.
virtual	~EquilibriumReactions ()
	Destroy this EquilibriumReactions instance.
auto	operator= (EquilibriumReactions other) -> EquilibriumReactions &
	Assign other EquilibriumReactions instance to this.
auto	system () const -> const ChemicalSystem &
	Return the chemical system for which the equilibrium reactions were defined.
auto	partition () const -> const Partition &
	Return the partition of the chemical system for which the equilibrium reactions were defined.
auto	setMasterSpecies (Indices ispecies) -> void
	Set the master species manually. More...
auto	setMasterSpecies (std::vector< std::string > species) -> void
	Set the master species manually. More...
auto	indicesMasterSpecies () const -> Indices
	Return the indices of the master species. More...
auto	indicesSecondarySpecies () const -> Indices
	Return the indices of the secondary species. More...
auto	equations () const -> std::vector< ReactionEquation >
	Return the equations of the equilibrium reactions.
auto	stoichiometricMatrix () const -> Matrix
	Return the stoichiometric matrix of the reactions.
auto	lu () const -> const LU &
	Return the LU decomposition of the formula matrix A.

Detailed Description

A class that generates a system of equilibrium reactions written in terms of master and secondary species.

Member Function Documentation

setMasterSpecies() [1/2]

auto setMasterSpecies

(

Indices

ispecies

)

-> void

Set the master species manually.

Parameters

ispecies

The global indices of the master species.

setMasterSpecies() [2/2]

auto setMasterSpecies

(

std::vector< std::string >

species

)

-> void

Set the master species manually.

Parameters

species

The names of the master species.

indicesMasterSpecies()

auto indicesMasterSpecies

(

)

const -> Indices

Return the indices of the master species.

The master species are those that serve as building blocks for the secondary species.

indicesSecondarySpecies()

auto indicesSecondarySpecies

(

)

const -> Indices

Return the indices of the secondary species.

The secondary species are those that are constructed from master species.

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

• Reaktoro/Equilibrium/EquilibriumReactions.hpp
• Reaktoro/Equilibrium/EquilibriumReactions.cpp