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

Detailed Description

A type used to define a phase and its attributes.

See also
ChemicalSystem, Element, Species

#include <Phase.hpp>

Inheritance diagram for Reaktoro::Phase:

Public Member Functions

 Phase ()
 Construct a default Phase instance.
 
auto setName (std::string name) -> void
 Set the name of the phase.
 
auto setType (PhaseType type) -> void
 Set the type of the phase.
 
auto setSpecies (const std::vector< Species > &species) -> void
 Set the species of the phase.
 
auto setThermoModel (const PhaseThermoModel &model) -> void
 Set the function that calculates the standard thermodynamic properties of the phase.
 
auto setChemicalModel (const PhaseChemicalModel &model) -> void
 Set the function that calculates the chemical properties of the phase.
 
auto numElements () const -> unsigned
 Return the number of elements in the phase.
 
auto numSpecies () const -> unsigned
 Return the number of species in the phase.
 
auto name () const -> std::string
 Return the name of the phase.
 
auto type () const -> PhaseType
 Return the type of the phase.
 
auto elements () const -> const std::vector< Element > &
 Return the elements of the phase.
 
auto elements () -> std::vector< Element > &
 Return the elements of the phase.
 
auto species () const -> const std::vector< Species > &
 Return the species of the phase.
 
auto species () -> std::vector< Species > &
 Return the species of the phase.
 
auto species (Index index) const -> const Species &
 Return the species of the phase with a given index.
 
auto isFluid () const -> bool
 Return true if the state of matter of the phase is fluid, i.e., liquid, gas, or plasma.
 
auto isSolid () const -> bool
 Return true if the phase type is solid.
 
auto thermoModel () const -> const PhaseThermoModel &
 Return the thermodynamic model function of the phase. More...
 
auto chemicalModel () const -> const PhaseChemicalModel &
 Return the chemical model function of the phase. More...
 
auto indexSpecies (std::string name) const -> Index
 Return the index of a species in the phase. More...
 
auto indexSpeciesWithError (std::string name) const -> Index
 Return the index of a species in the system. More...
 
auto indexSpeciesAny (const std::vector< std::string > &names) const -> Index
 Return the index of the first species in the phase with any of the given names. More...
 
auto indexSpeciesAnyWithError (const std::vector< std::string > &names) const -> Index
 Return the index of the first species in the phase with any of the given names. More...
 
auto properties (double T, double P) const -> PhaseThermoProperties
 Return the calculated standard thermodynamic properties of the species.
 
auto properties (double T, double P, const Vector &n) const -> PhaseChemicalProperties
 Return the calculated chemical properties of the phase and its species.
 

Member Function Documentation

auto Reaktoro::Phase::thermoModel ( ) const -> const PhaseThermoModel&

Return the thermodynamic model function of the phase.

See also
PhaseThermoModel
auto Reaktoro::Phase::chemicalModel ( ) const -> const PhaseChemicalModel&

Return the chemical model function of the phase.

See also
PhaseChemicalModel
auto Reaktoro::Phase::indexSpecies ( std::string  name) const -> Index

Return the index of a species in the phase.

Parameters
nameThe name of the species
Returns
The index of the species if found, or the number of species in the phase otherwise.
auto Reaktoro::Phase::indexSpeciesWithError ( std::string  name) const -> Index

Return the index of a species in the system.

Parameters
nameThe name of the species
Returns
The index of the species if found, or a runtime exception otherwise.
auto Reaktoro::Phase::indexSpeciesAny ( const std::vector< std::string > &  names) const -> Index

Return the index of the first species in the phase with any of the given names.

Parameters
namesThe tentative names of the species in the phase.
Returns
The index of the species if found, or the number of species in the phase otherwise.
auto Reaktoro::Phase::indexSpeciesAnyWithError ( const std::vector< std::string > &  names) const -> Index

Return the index of the first species in the phase with any of the given names.

Parameters
namesThe tentative names of the species in the phase.
Returns
The index of the species if found, or a runtime exception otherwise.

The documentation for this class was generated from the following files:
  • Reaktoro/Core/Phase.hpp
  • Reaktoro/Core/Phase.cpp