Reaktoro 
A unified framework for modeling chemically reactive systems
Reaktoro::GeneralMixture< SpeciesType > Class Template Reference

Detailed Description

template<class SpeciesType>
class Reaktoro::GeneralMixture< SpeciesType >

Provide a base of implementation for the mixture classes.

#include <GeneralMixture.hpp>

Public Member Functions

 GeneralMixture ()
 Construct a default GeneralMixture instance.
 
 GeneralMixture (const std::vector< SpeciesType > &species)
 Construct a GeneralMixture instance with given species. More...
 
virtual ~GeneralMixture ()
 Destroy the instance.
 
auto setName (std::string name) -> void
 Set the name of the mixture.
 
auto numSpecies () const -> unsigned
 Return the number of species in the mixture.
 
auto name () const -> std::string
 Return the name of the mixture.
 
auto species () const -> const std::vector< SpeciesType > &
 Return the species that compose the mixture. More...
 
auto species (const Index &index) const -> const SpeciesType &
 Return a species in the mixture. More...
 
auto indexSpecies (const std::string &name) const -> Index
 Return the index of a species in the mixture. More...
 
auto indexSpeciesAny (const std::vector< std::string > &names) const -> Index
 Return the index of the first species in the mixture with any of the given names. More...
 
auto namesSpecies () const -> std::vector< std::string >
 Return the names of the species in the mixture.
 
auto chargesSpecies () const -> Vector
 Return the charges of the species in the mixture.
 
auto molarFractions (const Vector &n) const -> ChemicalVector
 Calculates the molar fractions of the species and their partial derivatives. More...
 
auto state (double T, double P, const Vector &n) const -> MixtureState
 Calculate the state of the mixture. More...
 

Constructor & Destructor Documentation

template<class SpeciesType>
Reaktoro::GeneralMixture< SpeciesType >::GeneralMixture ( const std::vector< SpeciesType > &  species)
explicit

Construct a GeneralMixture instance with given species.

Parameters
speciesThe names of the species in the mixture

Member Function Documentation

template<class SpeciesType>
auto Reaktoro::GeneralMixture< SpeciesType >::species ( ) const -> const std::vector<SpeciesType>&

Return the species that compose the mixture.

Returns
The species that compose the mixture
template<class SpeciesType>
auto Reaktoro::GeneralMixture< SpeciesType >::species ( const Index index) const -> const SpeciesType&

Return a species in the mixture.

Parameters
indexThe index of the species
Returns
The species with given index
template<class SpeciesType >
auto Reaktoro::GeneralMixture< SpeciesType >::indexSpecies ( const std::string &  name) const -> Index

Return the index of a species in the mixture.

Parameters
nameThe name of the species in the mixture
Returns
The index of the species if found, or the number of species otherwise
template<class SpeciesType >
auto Reaktoro::GeneralMixture< SpeciesType >::indexSpeciesAny ( const std::vector< std::string > &  names) const -> Index

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

Parameters
namesThe tentative names of the species in the mixture.
Returns
The index of the species if found, or the number of species otherwise.
template<class SpeciesType >
auto Reaktoro::GeneralMixture< SpeciesType >::molarFractions ( const Vector n) const -> ChemicalVector

Calculates the molar fractions of the species and their partial derivatives.

Parameters
nThe molar abundance of the species (in units of mol)
Returns
The molar fractions and their partial derivatives
template<class SpeciesType >
auto Reaktoro::GeneralMixture< SpeciesType >::state ( double  T,
double  P,
const Vector n 
) const -> MixtureState

Calculate the state of the mixture.

Parameters
TThe temperature (in units of K)
PThe pressure (in units of Pa)
nThe molar amounts of the species in the mixture (in units of mol)

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