fourdst::composition::CompositionEntry Struct Reference

Represents a single entry (an isotope) within a composition. More...

#include <composition.h>

Public Member Functions
	CompositionEntry ()
	Default constructor. Initializes a default entry (H-1), but in an uninitialized state.
	CompositionEntry (const std::string &symbol, bool massFracMode=true)
	Constructs a CompositionEntry for a given symbol and abundance mode.
	CompositionEntry (const CompositionEntry &entry)
	Copy constructor.
void	setSpecies (const std::string &symbol)
	Sets the species for the composition entry. This can only be done once.
std::string	symbol () const
	Gets the chemical symbol of the species.
double	mass_fraction () const
	Gets the mass fraction of the species.
double	mass_fraction (double meanMolarMass) const
	Gets the mass fraction, converting from number fraction if necessary.
double	number_fraction () const
	Gets the number fraction of the species.
double	number_fraction (double totalMoles) const
	Gets the number fraction, converting from mass fraction if necessary.
double	rel_abundance () const
	Gets the relative abundance of the species.
atomic::Species	isotope () const
	Gets the isotope data for the species.
bool	getMassFracMode () const
	Gets the mode of the composition entry.
void	setMassFraction (double mass_fraction)
	Sets the mass fraction of the species.
void	setNumberFraction (double number_fraction)
	Sets the number fraction of the species.
bool	setMassFracMode (double meanMolarMass)
	Switches the mode to mass fraction mode.
bool	setNumberFracMode (double totalMoles)
	Switches the mode to number fraction mode.

Public Attributes
std::string	m_symbol
	The chemical symbol of the species (e.g., "H-1", "Fe-56").
atomic::Species	m_isotope
	The atomic::Species object containing detailed isotope data.
bool	m_massFracMode = true
	The mode of the composition entry. True if mass fraction, false if number fraction.
double	m_massFraction = 0.0
	The mass fraction of the species. Valid only if m_massFracMode is true.
double	m_numberFraction = 0.0
	The number fraction (mole fraction) of the species. Valid only if m_massFracMode is false.
double	m_relAbundance = 0.0
	The relative abundance, used internally for conversions. For mass fraction mode, this is X_i / A_i; for number fraction mode, it's n_i * A_i.
bool	m_initialized = false
	True if the composition entry has been initialized with a valid species.

Friends
std::ostream &	operator<< (std::ostream &os, const CompositionEntry &entry)
	Overloaded output stream operator for CompositionEntry.

Detailed Description

Represents a single entry (an isotope) within a composition.

This struct holds the properties of one component, including its symbol, the corresponding atomic::Species object, and its abundance (either as a mass fraction or number fraction). It manages the state and conversions for that single entry.

Definition at line 83 of file composition.h.

Constructor & Destructor Documentation

CompositionEntry() [1/3]

fourdst::composition::CompositionEntry::CompositionEntry

(

)

Default constructor. Initializes a default entry (H-1), but in an uninitialized state.

Definition at line 38 of file composition.cpp.

CompositionEntry() [2/3]

fourdst::composition::CompositionEntry::CompositionEntry ( const std::string & symbol, bool massFracMode = true )

explicit

Constructs a CompositionEntry for a given symbol and abundance mode.

Parameters

symbol	The chemical symbol of the species (e.g., "He-4").
massFracMode	True to operate in mass fraction mode, false for number fraction mode.

Exceptions

exceptions::InvalidSpeciesSymbolError	if the symbol does not exist in the atomic species database.
exceptions::EntryAlreadyInitializedError	if setSpecies is called on an already initialized entry.

Usage Example:

CompositionEntry entry("H-1", true); // Entry for H-1 in mass fraction mode.

Definition at line 43 of file composition.cpp.

CompositionEntry() [3/3]

fourdst::composition::CompositionEntry::CompositionEntry

(

const CompositionEntry &

entry

)

Copy constructor.

Parameters

entry

The CompositionEntry to copy.

Definition at line 47 of file composition.cpp.

Member Function Documentation

getMassFracMode()

bool fourdst::composition::CompositionEntry::getMassFracMode ( ) const

nodiscard

Gets the mode of the composition entry.

Returns

True if in mass fraction mode, false if in number fraction mode.

Definition at line 147 of file composition.cpp.

isotope()

fourdst::atomic::Species fourdst::composition::CompositionEntry::isotope ( ) const

nodiscard

Gets the isotope data for the species.

Returns

A const reference to the atomic::Species object.

Definition at line 109 of file composition.cpp.

mass_fraction() [1/2]

double fourdst::composition::CompositionEntry::mass_fraction ( ) const

nodiscard

Gets the mass fraction of the species.

Precondition

The entry must be in mass fraction mode.

Returns

The mass fraction of the species.

Exceptions

exceptions::CompositionModeError

if the entry is in number fraction mode.

Definition at line 72 of file composition.cpp.

mass_fraction() [2/2]

double fourdst::composition::CompositionEntry::mass_fraction ( double meanMolarMass ) const

nodiscard

Gets the mass fraction, converting from number fraction if necessary.

Parameters

meanMolarMass

The mean molar mass of the entire composition, required for conversion.

Returns

The mass fraction of the species.

Definition at line 79 of file composition.cpp.

number_fraction() [1/2]

double fourdst::composition::CompositionEntry::number_fraction ( ) const

nodiscard

Gets the number fraction of the species.

Precondition

The entry must be in number fraction mode.

Returns

The number fraction of the species.

Exceptions

exceptions::CompositionModeError

if the entry is in mass fraction mode.

Definition at line 89 of file composition.cpp.

number_fraction() [2/2]

double fourdst::composition::CompositionEntry::number_fraction ( double totalMoles ) const

nodiscard

Gets the number fraction, converting from mass fraction if necessary.

Parameters

totalMoles

The total moles per unit mass (specific number density) of the entire composition.

Returns

The number fraction of the species.

Definition at line 96 of file composition.cpp.

rel_abundance()

double fourdst::composition::CompositionEntry::rel_abundance ( ) const

nodiscard

Gets the relative abundance of the species.

Returns

The relative abundance.

Definition at line 105 of file composition.cpp.

setMassFracMode()

bool fourdst::composition::CompositionEntry::setMassFracMode

(

double

meanMolarMass

)

Switches the mode to mass fraction mode.

Parameters

meanMolarMass

The mean molar mass of the composition, required for conversion.

Returns

True if the mode was successfully set, false otherwise.

Definition at line 129 of file composition.cpp.

setMassFraction()

void fourdst::composition::CompositionEntry::setMassFraction

(

double

mass_fraction

)

Sets the mass fraction of the species.

Parameters

mass_fraction

The mass fraction to set. Must be in [0, 1].

Precondition

The entry must be in mass fraction mode.

Exceptions

exceptions::CompositionModeError

if the entry is in number fraction mode.

Definition at line 113 of file composition.cpp.

setNumberFracMode()

bool fourdst::composition::CompositionEntry::setNumberFracMode

(

double

totalMoles

)

Switches the mode to number fraction mode.

Parameters

totalMoles

The total moles per unit mass (specific number density) of the composition.

Returns

True if the mode was successfully set, false otherwise.

Definition at line 138 of file composition.cpp.

setNumberFraction()

void fourdst::composition::CompositionEntry::setNumberFraction

(

double

number_fraction

)

Sets the number fraction of the species.

Parameters

number_fraction

The number fraction to set. Must be in [0, 1].

Precondition

The entry must be in number fraction mode.

Exceptions

exceptions::CompositionModeError

if the entry is in mass fraction mode.

Definition at line 121 of file composition.cpp.

setSpecies()

void fourdst::composition::CompositionEntry::setSpecies

(

const std::string &

symbol

)

Sets the species for the composition entry. This can only be done once.

Parameters

symbol

The chemical symbol of the species.

Exceptions

exceptions::EntryAlreadyInitializedError	if the entry has already been initialized.
exceptions::InvalidSpeciesSymbolError	if the symbol is not found in the atomic species database.

Definition at line 56 of file composition.cpp.

symbol()

std::string fourdst::composition::CompositionEntry::symbol ( ) const

nodiscard

Gets the chemical symbol of the species.

Returns

The chemical symbol.

Definition at line 68 of file composition.cpp.

Friends And Related Symbol Documentation

operator<<

std::ostream & operator<< ( std::ostream & os, const CompositionEntry & entry )

friend

Overloaded output stream operator for CompositionEntry.

Parameters

os	The output stream.
entry	The CompositionEntry to output.

Returns

The output stream.

Definition at line 767 of file composition.cpp.

Member Data Documentation

m_initialized

bool fourdst::composition::CompositionEntry::m_initialized = false

True if the composition entry has been initialized with a valid species.

Definition at line 92 of file composition.h.

m_isotope

atomic::Species fourdst::composition::CompositionEntry::m_isotope

The atomic::Species object containing detailed isotope data.

Definition at line 85 of file composition.h.

m_massFracMode

bool fourdst::composition::CompositionEntry::m_massFracMode = true

The mode of the composition entry. True if mass fraction, false if number fraction.

Definition at line 86 of file composition.h.

m_massFraction

double fourdst::composition::CompositionEntry::m_massFraction = 0.0

The mass fraction of the species. Valid only if m_massFracMode is true.

Definition at line 88 of file composition.h.

m_numberFraction

double fourdst::composition::CompositionEntry::m_numberFraction = 0.0

The number fraction (mole fraction) of the species. Valid only if m_massFracMode is false.

Definition at line 89 of file composition.h.

m_relAbundance

double fourdst::composition::CompositionEntry::m_relAbundance = 0.0

The relative abundance, used internally for conversions. For mass fraction mode, this is X_i / A_i; for number fraction mode, it's n_i * A_i.

Definition at line 90 of file composition.h.

m_symbol

std::string fourdst::composition::CompositionEntry::m_symbol

The chemical symbol of the species (e.g., "H-1", "Fe-56").

Definition at line 84 of file composition.h.

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

• src/composition/include/fourdst/composition/composition.h
• src/composition/lib/composition.cpp