Class for representing atomic kets. More...

#include <KetAtom.hpp>

Inheritance diagram for pairinteraction::KetAtom:

Collaboration diagram for pairinteraction::KetAtom:

Data Structures
struct	hash

Public Member Functions
	KetAtom (Private, double energy, double f, double m, Parity p, std::string species, int n, double nu, double nui_exp, double nui_std, double l_exp, double l_std, double s_exp, double s_std, double j_exp, double j_std, double l_ryd_exp, double l_ryd_std, double j_ryd_exp, double j_ryd_std, bool is_j_total_momentum, bool is_calculated_with_mqdt, double underspecified_channel_contribution, Database &database, size_t id_in_database)

Database &	get_database () const

size_t	get_id_in_database () const

std::string	get_label () const override

std::shared_ptr< KetAtom >	get_ket_for_different_quantum_number_m (double new_quantum_number_m) const

const std::string &	get_species () const

int	get_quantum_number_n () const

double	get_quantum_number_nu () const

double	get_quantum_number_nui () const

double	get_quantum_number_l () const

double	get_quantum_number_s () const

double	get_quantum_number_j () const

double	get_quantum_number_l_ryd () const

double	get_quantum_number_j_ryd () const

double	get_quantum_number_nui_std () const

double	get_quantum_number_l_std () const

double	get_quantum_number_s_std () const

double	get_quantum_number_j_std () const

double	get_quantum_number_l_ryd_std () const

double	get_quantum_number_j_ryd_std () const

bool	is_j_total_momentum () const

bool	is_calculated_with_mqdt () const

double	get_underspecified_channel_contribution () const

bool	operator== (const KetAtom &other) const

bool	operator!= (const KetAtom &other) const

Public Member Functions inherited from pairinteraction::Ket
	Ket ()=delete

virtual	~Ket ()=default

bool	has_quantum_number_f () const

bool	has_quantum_number_m () const

bool	has_parity () const

double	get_energy () const

double	get_quantum_number_f () const

double	get_quantum_number_m () const

Parity	get_parity () const

virtual std::string	get_label () const =0

Friends
class	Database

Additional Inherited Members
Protected Member Functions inherited from pairinteraction::Ket
	Ket (double energy, double f, double m, Parity p)

bool	operator== (const Ket &other) const

Protected Attributes inherited from pairinteraction::Ket
double	energy

double	quantum_number_f

double	quantum_number_m

Parity	parity

Detailed Description

Class for representing atomic kets.

Definition at line 21 of file KetAtom.hpp.

Constructor & Destructor Documentation

◆ KetAtom()

pairinteraction::KetAtom::KetAtom	(	Private	,
		double	energy,
		double	f,
		double	m,
		Parity	p,
		std::string	species,
		int	n,
		double	nu,
		double	nui_exp,
		double	nui_std,
		double	l_exp,
		double	l_std,
		double	s_exp,
		double	s_std,
		double	j_exp,
		double	j_std,
		double	l_ryd_exp,
		double	l_ryd_std,
		double	j_ryd_exp,
		double	j_ryd_std,
		bool	is_j_total_momentum,
		bool	is_calculated_with_mqdt,
		double	underspecified_channel_contribution,
		Database &	database,
		size_t	id_in_database
	)

Definition at line 21 of file KetAtom.cpp.

Member Function Documentation

◆ get_database()

Database & pairinteraction::KetAtom::get_database ( ) const

Definition at line 38 of file KetAtom.cpp.

◆ get_id_in_database()

size_t pairinteraction::KetAtom::get_id_in_database ( ) const

Definition at line 40 of file KetAtom.cpp.

◆ get_ket_for_different_quantum_number_m()

std::shared_ptr< KetAtom > pairinteraction::KetAtom::get_ket_for_different_quantum_number_m ( double new_quantum_number_m ) const

Definition at line 99 of file KetAtom.cpp.

◆ get_label()

std::string pairinteraction::KetAtom::get_label ( ) const

overridevirtual

Implements pairinteraction::Ket.

Definition at line 42 of file KetAtom.cpp.

References pairinteraction::Ket::quantum_number_f, pairinteraction::quantum_number_l_labels, and pairinteraction::Ket::quantum_number_m.

◆ get_quantum_number_j()

double pairinteraction::KetAtom::get_quantum_number_j ( ) const

Definition at line 117 of file KetAtom.cpp.

◆ get_quantum_number_j_ryd()

double pairinteraction::KetAtom::get_quantum_number_j_ryd ( ) const

Definition at line 121 of file KetAtom.cpp.

◆ get_quantum_number_j_ryd_std()

double pairinteraction::KetAtom::get_quantum_number_j_ryd_std ( ) const

Definition at line 133 of file KetAtom.cpp.

◆ get_quantum_number_j_std()

double pairinteraction::KetAtom::get_quantum_number_j_std ( ) const

Definition at line 129 of file KetAtom.cpp.

◆ get_quantum_number_l()

double pairinteraction::KetAtom::get_quantum_number_l ( ) const

Definition at line 113 of file KetAtom.cpp.

◆ get_quantum_number_l_ryd()

double pairinteraction::KetAtom::get_quantum_number_l_ryd ( ) const

Definition at line 119 of file KetAtom.cpp.

◆ get_quantum_number_l_ryd_std()

double pairinteraction::KetAtom::get_quantum_number_l_ryd_std ( ) const

Definition at line 131 of file KetAtom.cpp.

◆ get_quantum_number_l_std()

double pairinteraction::KetAtom::get_quantum_number_l_std ( ) const

Definition at line 125 of file KetAtom.cpp.

◆ get_quantum_number_n()

int pairinteraction::KetAtom::get_quantum_number_n ( ) const

Definition at line 107 of file KetAtom.cpp.

◆ get_quantum_number_nu()

double pairinteraction::KetAtom::get_quantum_number_nu ( ) const

Definition at line 109 of file KetAtom.cpp.

◆ get_quantum_number_nui()

double pairinteraction::KetAtom::get_quantum_number_nui ( ) const

Definition at line 111 of file KetAtom.cpp.

◆ get_quantum_number_nui_std()

double pairinteraction::KetAtom::get_quantum_number_nui_std ( ) const

Definition at line 123 of file KetAtom.cpp.

◆ get_quantum_number_s()

double pairinteraction::KetAtom::get_quantum_number_s ( ) const

Definition at line 115 of file KetAtom.cpp.

◆ get_quantum_number_s_std()

double pairinteraction::KetAtom::get_quantum_number_s_std ( ) const

Definition at line 127 of file KetAtom.cpp.

◆ get_species()

const std::string & pairinteraction::KetAtom::get_species ( ) const

Definition at line 105 of file KetAtom.cpp.

◆ get_underspecified_channel_contribution()

double pairinteraction::KetAtom::get_underspecified_channel_contribution ( ) const

Definition at line 139 of file KetAtom.cpp.

◆ is_calculated_with_mqdt()

bool pairinteraction::KetAtom::is_calculated_with_mqdt ( ) const

Definition at line 137 of file KetAtom.cpp.

◆ is_j_total_momentum()

bool pairinteraction::KetAtom::is_j_total_momentum ( ) const

Definition at line 135 of file KetAtom.cpp.

◆ operator!=()

bool pairinteraction::KetAtom::operator!= ( const KetAtom & other ) const

Definition at line 157 of file KetAtom.cpp.

◆ operator==()

bool pairinteraction::KetAtom::operator== ( const KetAtom & other ) const

Definition at line 143 of file KetAtom.cpp.

References pairinteraction::Ket::operator==().

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Friends And Related Function Documentation

◆ Database

friend class Database

friend

Definition at line 22 of file KetAtom.hpp.

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

/__w/pairinteraction/pairinteraction/src/cpp/include/pairinteraction/ket/KetAtom.hpp
/__w/pairinteraction/pairinteraction/src/cpp/src/ket/KetAtom.cpp

Data Structures

Public Member Functions

Friends

Additional Inherited Members