EquilibriumBalance Class Reference

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

#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 -> MatrixConstRef
	Return the regularized mass balance matrix. More...
auto	regularizedVector (Vector b) const -> Vector
	Return the regularized mass balance vector. More...

Detailed Description

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

Member Function Documentation

regularizedMatrix()

auto regularizedMatrix

(

)

const -> MatrixConstRef

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.

regularizedVector()

auto 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

b	The vector of molar amounts of the elements.

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

• Reaktoro/Equilibrium/EquilibriumBalance.hpp
• Reaktoro/Equilibrium/EquilibriumBalance.cpp