AtomType Class Reference

The AtomType class defines the name, abbreviation, number, mass and other properties of an atom type. More...

#include <atomtype.h>

Public Types
enum	AtomTypeEnum { HYDROGEN, HELIUM, OXYGEN, ARGON }

Public Member Functions
	AtomType ()
	AtomType (int index)
	AtomType (AtomTypeEnum atomTypeEnum, int index)
void	setName (string name)
void	setAbbreviation (string abbreviation)
void	setNumber (int number)
void	setMass (double mass)
int	number () const
string	name () const
string	abbreviation () const
double	effectiveCharge () const
double	electronicPolarizability () const
void	setEffectiveCharge (double arg)
void	setElectronicPolarizability (double arg)
double	mass () const
int	index () const
bool	operator== (const AtomType &other) const

Static Public Member Functions
static AtomType	argon ()

Protected Attributes
string	m_name
string	m_abbreviation
int	m_number
double	m_mass
double	m_effectiveCharge
double	m_electronicPolarizability
int	m_index

Detailed Description

The AtomType class defines the name, abbreviation, number, mass and other properties of an atom type.

Member Enumeration Documentation

enum AtomType::AtomTypeEnum

Enumerator
HYDROGEN
HELIUM
OXYGEN
ARGON

Constructor & Destructor Documentation

AtomType::AtomType

(

)

AtomType::AtomType

(

int

index)

AtomType::AtomType	(	AtomType::AtomTypeEnum	atomTypeEnum,
		int	index
	)

Member Function Documentation

string AtomType::abbreviation ( ) const

inline

AtomType AtomType::argon ( )

static

double AtomType::effectiveCharge ( ) const

inline

double AtomType::electronicPolarizability ( ) const

inline

int AtomType::index ( ) const

inline

double AtomType::mass ( ) const

inline

string AtomType::name ( ) const

inline

int AtomType::number ( ) const

inline

bool AtomType::operator== ( const AtomType &  other) const

inline

void AtomType::setAbbreviation ( string  abbreviation)

inline

void AtomType::setEffectiveCharge ( double  arg)

inline

void AtomType::setElectronicPolarizability ( double  arg)

inline

void AtomType::setMass ( double  mass)

inline

void AtomType::setName ( string  name)

inline

void AtomType::setNumber ( int  number)

inline

Member Data Documentation

string AtomType::m_abbreviation

protected

double AtomType::m_effectiveCharge

protected

double AtomType::m_electronicPolarizability

protected

int AtomType::m_index

protected

double AtomType::m_mass

protected

string AtomType::m_name

protected

int AtomType::m_number

protected

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

• /home/svenni/Dropbox/projects/programming/emdee/emdee/src/libs/atomtype.h
• /home/svenni/Dropbox/projects/programming/emdee/emdee/src/libs/atomtype.cpp