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

Detailed Description

A class that defines the mass balance conditions for equilibrium calculations.

#include <EquilibriumBalance.hpp>

Public Member Functions

 EquilibriumBalance (const ChemicalSystem &system)
 Construct an EquilibriumBalance instance with given chemical system.
 
 EquilibriumBalance (const ChemicalSystem &system, const Partition &partition)
 Construct an EquilibriumBalance instance with given chemical system and partition.
 
 EquilibriumBalance (const EquilibriumReactions &reactions)
 Construct an EquilibriumBalance instance with customized equilibrium reactions.
 
 EquilibriumBalance (const EquilibriumBalance &other)
 Construct a copy of an EquilibriumBalance instance.
 
virtual ~EquilibriumBalance ()
 Destroy this EquilibriumBalance instance.
 
auto operator= (EquilibriumBalance other) -> EquilibriumBalance &
 Assign other EquilibriumBalance instance into this.
 
auto regularizedMatrix () const -> const Matrix &
 Return the regularized mass balance matrix. More...
 
auto regularizedVector (Vector b) const -> Vector
 Return the regularized mass balance vector. More...
 

Member Function Documentation

auto Reaktoro::EquilibriumBalance::regularizedMatrix ( ) const -> const Matrix&

Return the regularized mass balance matrix.

The regularized mass balance matrix is an alternative to the elemental balance matrix that reduces round-off error issues when some species have very low amounts.

auto Reaktoro::EquilibriumBalance::regularizedVector ( Vector  b) const -> Vector

Return the regularized mass balance vector.

The regularized mass balance matrix is an alternative to the elemental balance matrix that reduces round-off error issues when some species have very low amounts.

Parameters
bThe vector of molar amounts of the elements.

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