Represents an atomic species (isotope) with its fundamental physical properties. More...

#include <atomicSpecies.h>

Collaboration diagram for fourdst::atomic::Species:

Public Member Functions
	Species (const std::string_view name, const std::string_view el, const int nz, const int n, const int z, const int a, const double bindingEnergy, const std::string_view betaCode, const double betaDecayEnergy, const double halfLife_s, const std::string_view spinParity, const std::string_view decayModes, const double atomicMass, const double atomicMassUnc)
	Constructs a Species object with detailed properties.

	Species (const Species &species)
	Copy constructor for Species.

double	mass () const
	Gets the atomic mass of the species.

double	massUnc () const
	Gets the uncertainty in the atomic mass.

double	halfLife () const
	Gets the half-life of the species.

std::string_view	spinParity () const
	Gets the spin and parity as a string.

std::string_view	decayModes () const
	Gets the decay modes as a string.

double	bindingEnergy () const
	Gets the binding energy of the species.

double	betaDecayEnergy () const
	Gets the beta decay energy of the species.

std::string_view	betaCode () const
	Gets the beta decay code.

std::string_view	name () const
	Gets the name of the species.

std::string_view	el () const
	Gets the element symbol of the species.

int	nz () const
	Gets the NZ identifier of the species.

int	n () const
	Gets the number of neutrons.

int	z () const
	Gets the atomic number (number of protons).

int	a () const
	Gets the mass number.

double	spin () const
	Gets the nuclear spin as a numeric value.

Public Attributes
std::string	m_name
	Name of the species (e.g., "Fe56").

std::string	m_el
	Element symbol (e.g., "Fe").

int	m_nz
	NZ identifier, typically 1000*Z + A.

int	m_n
	Number of neutrons.

int	m_z
	Atomic number (number of protons).

int	m_a
	Mass number (N + Z).

double	m_bindingEnergy
	Binding energy in keV.

std::string	m_betaCode
	Beta decay code.

double	m_betaDecayEnergy
	Beta decay energy in keV.

double	m_halfLife_s
	Half-life in seconds. A value of -1.0 typically indicates stability.

std::string	m_spinParity
	Spin and parity as a string (e.g., "1/2-").

std::string	m_decayModes
	Decay modes as a string.

double	m_atomicMass
	Atomic mass in atomic mass units (u).

double	m_atomicMassUnc
	Uncertainty in the atomic mass.

std::optional< double >	m_spin = std::nullopt
	Nuclear spin as a double, derived from m_spinParity.

Friends
std::ostream &	operator<< (std::ostream &os, const Species &species)
	Overloads the stream insertion operator for easy printing of a Species object.

bool	operator== (const Species &lhs, const Species &rhs)
	Equality operator for Species. Compares based on name.

bool	operator!= (const Species &lhs, const Species &rhs)
	Inequality operator for Species. Compares based on name.

std::partial_ordering	operator<=> (const Species &lhs, const Species &rhs)

Detailed Description

Represents an atomic species (isotope) with its fundamental physical properties.

This struct holds data parsed from nuclear data libraries, such as atomic mass, half-life, and spin. It is a fundamental data structure for representing the components of a material composition.

Note: This struct is designed to be lightweight and is primarily a data container.

Usage Example: #include "fourdst/composition/atomicSpecies.h"

#include <iostream>

int main() {

// Create a species for Deuterium (H-2)

fourdst::atomic::Species deuterium(

"H2", "H", 1002, 1, 1, 2, 2224.52, "", 0.0, -1.0, "1+", "", 2.0141017781, 4.0e-11

);

std::cout << "Species: " << deuterium.name() << std::endl;

std::cout << "Atomic Mass: " << deuterium.mass() << " u" << std::endl;

std::cout << "Spin: " << deuterium.spin() << std::endl;

return 0;

}

fourdst::atomic::Species
Represents an atomic species (isotope) with its fundamental physical properties.
Definition atomicSpecies.h:52

Definition at line 52 of file atomicSpecies.h.

Constructor & Destructor Documentation

◆ Species() [1/2]

fourdst::atomic::Species::Species	(	const std::string_view	name,
		const std::string_view	el,
		const int	nz,
		const int	n,
		const int	z,
		const int	a,
		const double	bindingEnergy,
		const std::string_view	betaCode,
		const double	betaDecayEnergy,
		const double	halfLife_s,
		const std::string_view	spinParity,
		const std::string_view	decayModes,
		const double	atomicMass,
		const double	atomicMassUnc )

inline

Constructs a Species object with detailed properties.

Parameters

name	Name of the species.
el	Element symbol.
nz	NZ identifier.
n	Number of neutrons.
z	Atomic number.
a	Mass number.
bindingEnergy	Binding energy.
betaCode	Beta decay code.
betaDecayEnergy	Beta decay energy.
halfLife_s	Half-life in seconds.
spinParity	Spin and parity string.
decayModes	Decay modes string.
atomicMass	Atomic mass.
atomicMassUnc	Atomic mass uncertainty.

Postcondition: The m_spin member is initialized by parsing m_spinParity using convert_jpi_to_double.

Definition at line 89 of file atomicSpecies.h.

◆ Species() [2/2]

fourdst::atomic::Species::Species ( const Species & species )

inline

Copy constructor for Species.

Parameters

species The Species object to copy.

Postcondition: A new Species object is created as a deep copy of species. The m_spin member is re-calculated.

Definition at line 125 of file atomicSpecies.h.

Member Function Documentation

◆ a()

int fourdst::atomic::Species::a ( ) const

inlinenodiscard

Gets the mass number.

Returns: The mass number (A = N + Z).

Definition at line 251 of file atomicSpecies.h.

◆ betaCode()

std::string_view fourdst::atomic::Species::betaCode ( ) const

inlinenodiscard

Gets the beta decay code.

Returns: A string_view of the beta decay code.

Definition at line 203 of file atomicSpecies.h.

◆ betaDecayEnergy()

double fourdst::atomic::Species::betaDecayEnergy ( ) const

inlinenodiscard

Gets the beta decay energy of the species.

Returns: The beta decay energy in keV.

Definition at line 195 of file atomicSpecies.h.

◆ bindingEnergy()

double fourdst::atomic::Species::bindingEnergy ( ) const

inlinenodiscard

Gets the binding energy of the species.

Returns: The binding energy in keV.

Definition at line 187 of file atomicSpecies.h.

◆ decayModes()

std::string_view fourdst::atomic::Species::decayModes ( ) const

inlinenodiscard

Gets the decay modes as a string.

Returns: A string_view of the decay modes.

Definition at line 179 of file atomicSpecies.h.

◆ el()

std::string_view fourdst::atomic::Species::el ( ) const

inlinenodiscard

Gets the element symbol of the species.

Returns: A string_view of the element symbol (e.g., "Fe").

Definition at line 219 of file atomicSpecies.h.

◆ halfLife()

double fourdst::atomic::Species::halfLife ( ) const

inlinenodiscard

Gets the half-life of the species.

Returns: The half-life in seconds.

Definition at line 163 of file atomicSpecies.h.

◆ mass()

double fourdst::atomic::Species::mass ( ) const

inlinenodiscard

Gets the atomic mass of the species.

Returns: The atomic mass in atomic mass units (u).

Definition at line 147 of file atomicSpecies.h.

◆ massUnc()

double fourdst::atomic::Species::massUnc ( ) const

inlinenodiscard

Gets the uncertainty in the atomic mass.

Returns: The atomic mass uncertainty.

Definition at line 155 of file atomicSpecies.h.

◆ n()

int fourdst::atomic::Species::n ( ) const

inlinenodiscard

Gets the number of neutrons.

Returns: The number of neutrons (N).

Definition at line 235 of file atomicSpecies.h.

◆ name()

std::string_view fourdst::atomic::Species::name ( ) const

inlinenodiscard

Gets the name of the species.

Returns: A string_view of the species name (e.g., "Fe56").

Definition at line 211 of file atomicSpecies.h.

◆ nz()

int fourdst::atomic::Species::nz ( ) const

inlinenodiscard

Gets the NZ identifier of the species.

Returns: The NZ identifier (1000*Z + A).

Definition at line 227 of file atomicSpecies.h.

◆ spin()

double fourdst::atomic::Species::spin ( ) const

inlinenodiscard

Gets the nuclear spin as a numeric value.

Returns: The spin as a double.

Definition at line 259 of file atomicSpecies.h.

◆ spinParity()

std::string_view fourdst::atomic::Species::spinParity ( ) const

inlinenodiscard

Gets the spin and parity as a string.

Returns: A string_view of the spin and parity (e.g., "1/2+").

Definition at line 171 of file atomicSpecies.h.

◆ z()

int fourdst::atomic::Species::z ( ) const

inlinenodiscard

Gets the atomic number (number of protons).

Returns: The atomic number (Z).

Definition at line 243 of file atomicSpecies.h.

Friends And Related Symbol Documentation

◆ operator!=

bool operator!=	(	const Species &	lhs,
		const Species &	rhs )

friend

Inequality operator for Species. Compares based on name.

Parameters

lhs	The left-hand side Species.
rhs	The right-hand side Species.

Returns: true if the names are different, false otherwise.

Definition at line 296 of file atomicSpecies.h.

◆ operator<<

std::ostream & operator<<	(	std::ostream &	os,
		const Species &	species )

friend

Overloads the stream insertion operator for easy printing of a Species object.

Parameters

os	The output stream.
species	The Species object to print.

Returns: The output stream with the species name.

Definition at line 272 of file atomicSpecies.h.

◆ operator<=>

std::partial_ordering operator<=>	(	const Species &	lhs,
		const Species &	rhs )

friend

Definition at line 300 of file atomicSpecies.h.

◆ operator==

bool operator==	(	const Species &	lhs,
		const Species &	rhs )

friend

Equality operator for Species. Compares based on name.

Parameters

lhs	The left-hand side Species.
rhs	The right-hand side Species.

Returns: true if the names are identical, false otherwise.

Definition at line 287 of file atomicSpecies.h.

Member Data Documentation

◆ m_a

int fourdst::atomic::Species::m_a

Mass number (N + Z).

Definition at line 58 of file atomicSpecies.h.

◆ m_atomicMass

double fourdst::atomic::Species::m_atomicMass

Atomic mass in atomic mass units (u).

Definition at line 65 of file atomicSpecies.h.

◆ m_atomicMassUnc

double fourdst::atomic::Species::m_atomicMassUnc

Uncertainty in the atomic mass.

Definition at line 66 of file atomicSpecies.h.

◆ m_betaCode

std::string fourdst::atomic::Species::m_betaCode

Beta decay code.

Definition at line 60 of file atomicSpecies.h.

◆ m_betaDecayEnergy

double fourdst::atomic::Species::m_betaDecayEnergy

Beta decay energy in keV.

Definition at line 61 of file atomicSpecies.h.

◆ m_bindingEnergy

double fourdst::atomic::Species::m_bindingEnergy

Binding energy in keV.

Definition at line 59 of file atomicSpecies.h.

◆ m_decayModes

std::string fourdst::atomic::Species::m_decayModes

Decay modes as a string.

Definition at line 64 of file atomicSpecies.h.

◆ m_el

std::string fourdst::atomic::Species::m_el

Element symbol (e.g., "Fe").

Definition at line 54 of file atomicSpecies.h.

◆ m_halfLife_s

double fourdst::atomic::Species::m_halfLife_s

Half-life in seconds. A value of -1.0 typically indicates stability.

Definition at line 62 of file atomicSpecies.h.

◆ m_n

int fourdst::atomic::Species::m_n

Number of neutrons.

Definition at line 56 of file atomicSpecies.h.

◆ m_name

std::string fourdst::atomic::Species::m_name

Name of the species (e.g., "Fe56").

Definition at line 53 of file atomicSpecies.h.

◆ m_nz

int fourdst::atomic::Species::m_nz

NZ identifier, typically 1000*Z + A.

Definition at line 55 of file atomicSpecies.h.

◆ m_spin

std::optional<double> fourdst::atomic::Species::m_spin = std::nullopt

mutable

Nuclear spin as a double, derived from m_spinParity.

Definition at line 67 of file atomicSpecies.h.

◆ m_spinParity

std::string fourdst::atomic::Species::m_spinParity

Spin and parity as a string (e.g., "1/2-").

Definition at line 63 of file atomicSpecies.h.

◆ m_z

int fourdst::atomic::Species::m_z

Atomic number (number of protons).

Definition at line 57 of file atomicSpecies.h.

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

src/composition/include/fourdst/atomic/atomicSpecies.h

Public Member Functions

Public Attributes

Friends

Detailed Description

Constructor & Destructor Documentation

◆ Species() [1/2]

◆ Species() [2/2]

Member Function Documentation

◆ a()

◆ betaCode()

◆ betaDecayEnergy()

◆ bindingEnergy()

◆ decayModes()

◆ el()

◆ halfLife()

◆ mass()

◆ massUnc()

◆ n()

◆ name()

◆ nz()

◆ spin()

◆ spinParity()

◆ z()

Friends And Related Symbol Documentation

◆ operator!=

◆ operator<<

◆ operator<=>

◆ operator==

Member Data Documentation

◆ m_a

◆ m_atomicMass

◆ m_atomicMassUnc

◆ m_betaCode

◆ m_betaDecayEnergy

◆ m_bindingEnergy

◆ m_decayModes

◆ m_el

◆ m_halfLife_s

◆ m_n

◆ m_name

◆ m_nz

◆ m_spin

◆ m_spinParity

◆ m_z