core::io::nmr::ParaIon Class Reference

#include <ParaIon.hh>

Public Member Functions
	ParaIon ()
	default constructor More...
	ParaIon (std::string const &label, Real const charge, Real const s, Real const l, Real const j, Real const gj, Real const te)
	constructor with arguments More...
	ParaIon (ParaIon const &src)
	copy constructor More...
ParaIon &	operator= (ParaIon const &src)
	assignment operator More...
	~ParaIon ()
	destructor More...
std::string	get_ion_label () const
	Setters and Getters. More...
Real	get_charge () const
Real	get_S () const
Real	get_L () const
Real	get_J () const
Real	get_gJ () const
Real	get_tau_e () const
void	set_ion_label (std::string const &label)
void	set_charge (Real charge)
void	set_S (Real s)
void	set_L (Real l)
void	set_J (Real j)
void	set_gJ (Real gj)
void	set_tau_e (Real te)
void	calc_gJ ()
	calculate Lande g-factor More...
void	show (std::ostream &out) const
	output ParaIon data More...

Private Attributes
std::string	ion_label_
	label of metal ion More...
Real	charge_
	charge of metal ion More...
Real	S_
	spin quantum number More...
Real	L_
	orbital quantum number More...
Real	J_
	total quantum number More...
Real	gJ_
	Lande g-factor. More...
Real	tau_e_
	electron relaxation time (10-12 s) More...

Constructor & Destructor Documentation

ParaIon() [1/3]

core::io::nmr::ParaIon::ParaIon

(

)

default constructor

ParaIon() [2/3]

core::io::nmr::ParaIon::ParaIon	(	std::string const &	label,
		Real const	charge,
		Real const	s,
		Real const	l,
		Real const	j,
		Real const	gj,
		Real const	te
	)

constructor with arguments

ParaIon() [3/3]

core::io::nmr::ParaIon::ParaIon

(

ParaIon const &

src

)

copy constructor

Make a deep copy of this mover object

~ParaIon()

core::io::nmr::ParaIon::~ParaIon

(

)

destructor

Member Function Documentation

calc_gJ()

void core::io::nmr::ParaIon::calc_gJ

(

)

calculate Lande g-factor

References gJ_, J_, L_, and S_.

get_charge()

Real core::io::nmr::ParaIon::get_charge ( ) const

inline

References charge_.

get_gJ()

Real core::io::nmr::ParaIon::get_gJ ( ) const

inline

References gJ_.

get_ion_label()

std::string core::io::nmr::ParaIon::get_ion_label ( ) const

inline

Setters and Getters.

References ion_label_.

get_J()

Real core::io::nmr::ParaIon::get_J ( ) const

inline

References J_.

get_L()

Real core::io::nmr::ParaIon::get_L ( ) const

inline

References L_.

get_S()

Real core::io::nmr::ParaIon::get_S ( ) const

inline

References S_.

get_tau_e()

Real core::io::nmr::ParaIon::get_tau_e ( ) const

inline

References tau_e_.

operator=()

ParaIon & core::io::nmr::ParaIon::operator=

(

ParaIon const &

src

)

assignment operator

Make a deep copy of this mover object

References charge_, gJ_, ion_label_, J_, L_, S_, and tau_e_.

set_charge()

void core::io::nmr::ParaIon::set_charge ( Real  charge )

inline

References charge_.

set_gJ()

void core::io::nmr::ParaIon::set_gJ ( Real  gj )

inline

References gJ_.

set_ion_label()

void core::io::nmr::ParaIon::set_ion_label ( std::string const &  label )

inline

References ion_label_.

set_J()

void core::io::nmr::ParaIon::set_J ( Real  j )

inline

References J_.

set_L()

void core::io::nmr::ParaIon::set_L ( Real  l )

inline

References L_.

set_S()

void core::io::nmr::ParaIon::set_S ( Real  s )

inline

References S_.

set_tau_e()

void core::io::nmr::ParaIon::set_tau_e ( Real  te )

inline

References tau_e_.

show()

void core::io::nmr::ParaIon::show

(

std::ostream &

out

)

const

output ParaIon data

output ion data

References gJ_, ion_label_, J_, L_, core::conformation::membrane::out, S_, and tau_e_.

Member Data Documentation

charge_

Real core::io::nmr::ParaIon::charge_

private

charge of metal ion

Referenced by get_charge(), operator=(), and set_charge().

gJ_

Real core::io::nmr::ParaIon::gJ_

private

Lande g-factor.

Referenced by calc_gJ(), get_gJ(), operator=(), set_gJ(), and show().

ion_label_

std::string core::io::nmr::ParaIon::ion_label_

private

label of metal ion

Referenced by get_ion_label(), operator=(), set_ion_label(), and show().

J_

Real core::io::nmr::ParaIon::J_

private

total quantum number

Referenced by calc_gJ(), get_J(), operator=(), set_J(), and show().

L_

Real core::io::nmr::ParaIon::L_

private

orbital quantum number

Referenced by calc_gJ(), get_L(), operator=(), set_L(), and show().

S_

Real core::io::nmr::ParaIon::S_

private

spin quantum number

Referenced by calc_gJ(), get_S(), operator=(), set_S(), and show().

tau_e_

Real core::io::nmr::ParaIon::tau_e_

private

electron relaxation time (10-12 s)

Referenced by get_tau_e(), operator=(), set_tau_e(), and show().

---

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

• src/core/io/nmr/ParaIon.hh
• src/core/io/nmr/ParaIon.cc