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

Detailed Description

A class used for solving inverse equilibrium problems.

#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...
 

Member Function Documentation

auto Reaktoro::EquilibriumInverseSolver::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.
problemThe inverse equilibrium problem.
auto Reaktoro::EquilibriumInverseSolver::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.


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