EquilibriumInverseSolver Class Reference

A class used for solving inverse equilibrium problems. More...

#include <EquilibriumInverseSolver.hpp>

Public Member Functions
	EquilibriumInverseSolver (const ChemicalSystem &system)
	Construct an EquilibriumInverseSolver instance.
	EquilibriumInverseSolver (const EquilibriumInverseSolver &other)
	Construct a copy of an EquilibriumInverseSolver instance.
virtual	~EquilibriumInverseSolver ()
	Destroy this EquilibriumInverseSolver instance.
auto	operator= (EquilibriumInverseSolver other) -> EquilibriumInverseSolver &
	Assign a copy of an EquilibriumInverseSolver instance.
auto	setOptions (const EquilibriumOptions &options) -> void
	Set the options of the equilibrium solver.
auto	setPartition (const Partition &partition) -> void
	Set the partition of the chemical system.
auto	solve (ChemicalState &state, const EquilibriumInverseProblem &problem) -> EquilibriumResult
	Solve an inverse equilibrium problem. More...
auto	sensitivity () -> EquilibriumSensitivity
	Return the sensitivity of the equilibrium state. More...

Detailed Description

A class used for solving inverse equilibrium problems.

Member Function Documentation

solve()

auto solve	(	ChemicalState &	state,
		const EquilibriumInverseProblem &	problem
	)		-> EquilibriumResult

Solve an inverse equilibrium problem.

Parameters

state[in,out]	The initial guess and the final state of the inverse equilibrium calculation.
problem	The inverse equilibrium problem.

sensitivity()

auto sensitivity

(

)

-> EquilibriumSensitivity

Return the sensitivity of the equilibrium state.

The sensitivity of the equilibrium state is defined as the rate of change of the molar amounts of the equilibrium species with respect to temperature T, pressure P, and molar amounts of equilibrium elements be.

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

• Reaktoro/Equilibrium/EquilibriumInverseSolver.hpp
• Reaktoro/Equilibrium/EquilibriumInverseSolver.cpp