Interface Class Reference

A class used to interface other codes with Reaktoro. More...

#include <Interface.hpp>

Inheritance diagram for Interface:

Public Member Functions
virtual	~Interface ()=0
	Virtual destructor.
virtual auto	temperature () const -> double=0
	Return the temperature (in units of K)
virtual auto	pressure () const -> double=0
	Return the pressure (in units of Pa)
virtual auto	speciesAmounts () const -> Vector=0
	Return the amounts of the species (in units of mol)
virtual auto	numElements () const -> unsigned=0
	Return the number of elements.
virtual auto	numSpecies () const -> unsigned=0
	Return the number of species.
virtual auto	numPhases () const -> unsigned=0
	Return the number of phases.
virtual auto	numSpeciesInPhase (Index iphase) const -> unsigned=0
	Return the number of species in a phase.
virtual auto	elementName (Index ielement) const -> std::string=0
	Return the name of an element.
virtual auto	elementMolarMass (Index ielement) const -> double=0
	Return the molar mass of an element (in units of kg/mol)
virtual auto	elementStoichiometry (Index ispecies, Index ielement) const -> double=0
	Return the stoichiometry of an element in a species.
virtual auto	speciesName (Index ispecies) const -> std::string=0
	Return the name of a species.
virtual auto	phaseName (Index iphase) const -> std::string=0
	Return the name of a phase.
virtual auto	properties (ThermoModelResult &res, double T, double P) -> void=0
	Return the thermodynamic properties of the phases and its species. More...
virtual auto	properties (ChemicalModelResult &res, double T, double P, VectorConstRef n) -> void=0
	Return the chemical properties of the phases and its species. More...
virtual auto	clone () const -> std::shared_ptr< Interface >=0
	Return a clone of this Interface instance.
auto	formulaMatrix () const -> Matrix
	Return the formula matrix of the species.
auto	indexElement (std::string element) const -> Index
	Return the index of an element.
auto	indexSpecies (std::string species) const -> Index
	Return the index of a species.
auto	indexPhase (std::string phase) const -> Index
	Return the index of a phase.
auto	indexPhaseWithSpecies (Index ispecies) const -> Index
	Return the index of the phase with a species.
auto	indexFirstSpeciesInPhase (Index iphase) const -> Index
	Return the index of the first species in a phase.
auto	system () const -> ChemicalSystem
	Return a ChemicalSystem instance created from an instance of a class derived from Interface.
auto	state (const ChemicalSystem &system) const -> ChemicalState
	Return a ChemicalState instance created from an instance of a class derived from Interface. More...
	operator ChemicalSystem () const
	Convert the classes derived from Interface into a ChemicalSystem instance.

Detailed Description

A class used to interface other codes with Reaktoro.

Member Function Documentation

properties() [1/2]

virtual auto properties ( ThermoModelResult &  res, double  T, double  P  ) -> void

pure virtual

Return the thermodynamic properties of the phases and its species.

Parameters

iphase	The index of the phase
T	The temperature (in units of K)
P	The pressure (in units of Pa)

Implemented in Phreeqc, and Gems.

properties() [2/2]

virtual auto properties ( ChemicalModelResult &  res, double  T, double  P, VectorConstRef  n  ) -> void

pure virtual

Return the chemical properties of the phases and its species.

Parameters

T	The temperature (in units of K)
P	The pressure (in units of Pa)
n	The amounts of the species (in units of mol)

Implemented in Phreeqc, and Gems.

state()

auto state

(

const ChemicalSystem &

system

)

const -> ChemicalState

Return a ChemicalState instance created from an instance of a class derived from Interface.

Parameters

system

The chemical system created using method system.

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

• Reaktoro/Interfaces/Interface.hpp
• Reaktoro/Interfaces/Interface.cpp