Reaktoro 
A unified framework for modeling chemically reactive systems
Reaktoro::EquilibriumReactions Class Reference

Detailed Description

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

#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.
 

Member Function Documentation

auto Reaktoro::EquilibriumReactions::setMasterSpecies ( Indices  ispecies) -> void

Set the master species manually.

Parameters
ispeciesThe global indices of the master species.
auto Reaktoro::EquilibriumReactions::setMasterSpecies ( std::vector< std::string >  species) -> void

Set the master species manually.

Parameters
speciesThe names of the master species.
auto Reaktoro::EquilibriumReactions::indicesMasterSpecies ( ) const -> Indices

Return the indices of the master species.

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

auto Reaktoro::EquilibriumReactions::indicesSecondarySpecies ( ) const -> Indices

Return the indices of the secondary species.

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


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