Abstract base class for chemical composition representations. More...

#include <composition_abstract.h>

Inheritance diagram for CompositionAbstract:

Public Member Functions
virtual	~CompositionAbstract ()=default
	Virtual destructor.

virtual bool	contains (const fourdst::atomic::Species &species) const noexcept=0
	Check if the composition contains the given species.

virtual bool	contains (const std::string &symbol) const =0
	Check if the composition contains the given species.

virtual size_t	size () const noexcept=0

virtual std::set< std::string >	getRegisteredSymbols () const noexcept=0
	Get all registered chemical symbols in the composition.

virtual const std::set< fourdst::atomic::Species > &	getRegisteredSpecies () const noexcept=0
	Get all registered atomic species in the composition.

virtual std::unordered_map< fourdst::atomic::Species, double >	getMassFraction () const noexcept=0
	Get the mass fraction for all registered symbols.

virtual std::unordered_map< fourdst::atomic::Species, double >	getNumberFraction () const noexcept=0
	Get the number fraction for all registered symbols.

virtual double	getMassFraction (const std::string &symbol) const =0
	Get the mass fraction for a given symbol.

virtual double	getMassFraction (const fourdst::atomic::Species &species) const =0
	Get the mass fraction for a given species.

virtual double	getNumberFraction (const std::string &symbol) const =0
	Get the number fraction for a given symbol.

virtual double	getNumberFraction (const fourdst::atomic::Species &species) const =0
	Get the number fraction for a given species.

virtual double	getMolarAbundance (const std::string &symbol) const =0
	Get the molar abundance for a given symbol.

virtual double	getMolarAbundance (const fourdst::atomic::Species &species) const =0
	Get the molar abundance for a given species.

virtual double	getMeanParticleMass () const noexcept=0
	Get the mean particle mass of the composition.

virtual double	getElectronAbundance () const noexcept=0
	Get the electron abundance of the composition.

virtual std::vector< double >	getMassFractionVector () const noexcept=0
	Get the mass fraction as a vector.

virtual std::vector< double >	getNumberFractionVector () const noexcept=0
	Get the number fraction as a vector.

virtual std::vector< double >	getMolarAbundanceVector () const noexcept=0
	Get the molar abundance as a vector.

virtual size_t	getSpeciesIndex (const std::string &symbol) const =0
	Get the index of a species by symbol.

virtual size_t	getSpeciesIndex (const fourdst::atomic::Species &species) const =0
	Get the index of a species.

virtual fourdst::atomic::Species	getSpeciesAtIndex (size_t index) const =0
	Get the species at a given index.

Detailed Description

Abstract base class for chemical composition representations.

The purpose of this class is to define a standard interface for all composition types. Children of this class are responsible for implementing the setter methods, but any object that is a child of CompositionAbstract will always have these getter methods.

This ensures that all derived composition classes provide a consistent API for querying composition properties, regardless of how the data is set or stored.

Example: class MyComposition : public CompositionAbstract {

// ...implement all pure virtual methods...

};

MyComposition comp;

if (comp.hasSymbol("H")) {

double mf = comp.getMassFraction("H");

}

std::set<std::string> symbols = comp.getRegisteredSymbols();

CompositionAbstract
Abstract base class for chemical composition representations.
Definition composition_abstract.h:33

Definition at line 33 of file composition_abstract.h.

Constructor & Destructor Documentation

◆ ~CompositionAbstract()

virtual CompositionAbstract::~CompositionAbstract ( )

virtualdefault

Virtual destructor.

Member Function Documentation

◆ contains() [1/2]

virtual bool CompositionAbstract::contains ( const fourdst::atomic::Species & species ) const

nodiscardpure virtualnoexcept

Check if the composition contains the given species.

Parameters

species The atomic species to check.

Returns: True if the species is contained, false otherwise.

Implemented in fourdst::composition::Composition.

◆ contains() [2/2]

virtual bool CompositionAbstract::contains ( const std::string & symbol ) const

nodiscardpure virtual

Check if the composition contains the given species.

Parameters

symbol The symbol of the atomic species to check.

Returns: True if the species is contained, false otherwise.

Implemented in fourdst::composition::Composition.

◆ getElectronAbundance()

virtual double CompositionAbstract::getElectronAbundance ( ) const

nodiscardpure virtualnoexcept

Get the electron abundance of the composition.

Returns: The electron abundance.

Implemented in fourdst::composition::Composition.

◆ getMassFraction() [1/3]

virtual std::unordered_map< fourdst::atomic::Species, double > CompositionAbstract::getMassFraction ( ) const

nodiscardpure virtualnoexcept

Get the mass fraction for all registered symbols.

Returns: An unordered map from symbol to mass fraction.

Implemented in fourdst::composition::Composition.

◆ getMassFraction() [2/3]

virtual double CompositionAbstract::getMassFraction ( const fourdst::atomic::Species & species ) const

nodiscardpure virtual

Get the mass fraction for a given species.

Parameters

species The atomic species.

Returns: The mass fraction for the species.

Implemented in fourdst::composition::Composition.

◆ getMassFraction() [3/3]

virtual double CompositionAbstract::getMassFraction ( const std::string & symbol ) const

nodiscardpure virtual

Get the mass fraction for a given symbol.

Parameters

symbol The chemical symbol.

Returns: The mass fraction for the symbol.

Implemented in fourdst::composition::Composition.

◆ getMassFractionVector()

virtual std::vector< double > CompositionAbstract::getMassFractionVector ( ) const

nodiscardpure virtualnoexcept

Get the mass fraction as a vector.

Returns: A vector of mass fractions for all species.

Implemented in fourdst::composition::Composition.

◆ getMeanParticleMass()

virtual double CompositionAbstract::getMeanParticleMass ( ) const

nodiscardpure virtualnoexcept

Get the mean particle mass of the composition.

Returns: The mean particle mass.

Implemented in fourdst::composition::Composition.

◆ getMolarAbundance() [1/2]

virtual double CompositionAbstract::getMolarAbundance ( const fourdst::atomic::Species & species ) const

nodiscardpure virtual

Get the molar abundance for a given species.

Parameters

species The atomic species.

Returns: The molar abundance for the species.

Implemented in fourdst::composition::Composition.

◆ getMolarAbundance() [2/2]

virtual double CompositionAbstract::getMolarAbundance ( const std::string & symbol ) const

nodiscardpure virtual

Get the molar abundance for a given symbol.

Parameters

symbol The chemical symbol.

Returns: The molar abundance for the symbol.

Implemented in fourdst::composition::Composition.

◆ getMolarAbundanceVector()

virtual std::vector< double > CompositionAbstract::getMolarAbundanceVector ( ) const

nodiscardpure virtualnoexcept

Get the molar abundance as a vector.

Returns: A vector of molar abundances for all species.

Implemented in fourdst::composition::Composition.

◆ getNumberFraction() [1/3]

virtual std::unordered_map< fourdst::atomic::Species, double > CompositionAbstract::getNumberFraction ( ) const

nodiscardpure virtualnoexcept

Get the number fraction for all registered symbols.

Returns: An unordered map from symbol to number fraction.

Implemented in fourdst::composition::Composition.

◆ getNumberFraction() [2/3]

virtual double CompositionAbstract::getNumberFraction ( const fourdst::atomic::Species & species ) const

nodiscardpure virtual

Get the number fraction for a given species.

Parameters

species The atomic species.

Returns: The number fraction for the species.

Implemented in fourdst::composition::Composition.

◆ getNumberFraction() [3/3]

virtual double CompositionAbstract::getNumberFraction ( const std::string & symbol ) const

nodiscardpure virtual

Get the number fraction for a given symbol.

Parameters

symbol The chemical symbol.

Returns: The number fraction for the symbol.

Implemented in fourdst::composition::Composition.

◆ getNumberFractionVector()

virtual std::vector< double > CompositionAbstract::getNumberFractionVector ( ) const

nodiscardpure virtualnoexcept

Get the number fraction as a vector.

Returns: A vector of number fractions for all species.

Implemented in fourdst::composition::Composition.

◆ getRegisteredSpecies()

virtual const std::set< fourdst::atomic::Species > & CompositionAbstract::getRegisteredSpecies ( ) const

nodiscardpure virtualnoexcept

Get all registered atomic species in the composition.

Returns: A set of registered atomic species.

Implemented in fourdst::composition::Composition.

◆ getRegisteredSymbols()

virtual std::set< std::string > CompositionAbstract::getRegisteredSymbols ( ) const

nodiscardpure virtualnoexcept

Get all registered chemical symbols in the composition.

Returns: A set of registered chemical symbols.

Implemented in fourdst::composition::Composition.

◆ getSpeciesAtIndex()

virtual fourdst::atomic::Species CompositionAbstract::getSpeciesAtIndex ( size_t index ) const

nodiscardpure virtual

Get the species at a given index.

Parameters

index The index of the species.

Returns: The atomic species at the specified index.

Implemented in fourdst::composition::Composition.

◆ getSpeciesIndex() [1/2]

virtual size_t CompositionAbstract::getSpeciesIndex ( const fourdst::atomic::Species & species ) const

nodiscardpure virtual

Get the index of a species.

Parameters

species The atomic species.

Returns: The index of the species.

Implemented in fourdst::composition::Composition.

◆ getSpeciesIndex() [2/2]

virtual size_t CompositionAbstract::getSpeciesIndex ( const std::string & symbol ) const

nodiscardpure virtual

Get the index of a species by symbol.

Parameters

symbol The chemical symbol.

Returns: The index of the species.

Implemented in fourdst::composition::Composition.

◆ size()

virtual size_t CompositionAbstract::size ( ) const

nodiscardpure virtualnoexcept

Implemented in fourdst::composition::Composition.

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

src/composition/include/fourdst/composition/composition_abstract.h

Public Member Functions

Detailed Description

Constructor & Destructor Documentation

◆ ~CompositionAbstract()

Member Function Documentation

◆ contains() [1/2]

◆ contains() [2/2]

◆ getElectronAbundance()

◆ getMassFraction() [1/3]

◆ getMassFraction() [2/3]

◆ getMassFraction() [3/3]

◆ getMassFractionVector()

◆ getMeanParticleMass()

◆ getMolarAbundance() [1/2]

◆ getMolarAbundance() [2/2]

◆ getMolarAbundanceVector()

◆ getNumberFraction() [1/3]

◆ getNumberFraction() [2/3]

◆ getNumberFraction() [3/3]

◆ getNumberFractionVector()

◆ getRegisteredSpecies()

◆ getRegisteredSymbols()

◆ getSpeciesAtIndex()

◆ getSpeciesIndex() [1/2]

◆ getSpeciesIndex() [2/2]

◆ size()