pseudopotential::element Class Reference

#include <element.hpp>

Classes
struct	properties

Public Member Functions
	element (const std::string &symbol="none")
	element (int atomic_number)
bool	valid () const
double	charge () const
const std::string &	symbol () const
int	atomic_number () const
double	mass () const
double	vdw_radius () const

Static Public Member Functions
static std::string	trim (std::string str, const std::string &chars="\t\n\v\f\r ")

Private Types
typedef std::map< std::string, properties >	map_type

Static Private Member Functions
static map_type &	map ()
static std::string &	ltrim (std::string &str, const std::string &chars="\t\n\v\f\r ")
static std::string &	rtrim (std::string &str, const std::string &chars="\t\n\v\f\r ")

Private Attributes
std::string	symbol_

Member Typedef Documentation

map_type

typedef std::map<std::string, properties> pseudopotential::element::map_type

private

Constructor & Destructor Documentation

element() [1/2]

pseudopotential::element::element ( const std::string &  symbol = "none" )

inline

element() [2/2]

pseudopotential::element::element ( int  atomic_number )

inline

Member Function Documentation

valid()

bool pseudopotential::element::valid ( ) const

inline

charge()

double pseudopotential::element::charge ( ) const

inline

symbol()

const std::string & pseudopotential::element::symbol ( ) const

inline

atomic_number()

int pseudopotential::element::atomic_number ( ) const

inline

mass()

double pseudopotential::element::mass ( ) const

inline

vdw_radius()

double pseudopotential::element::vdw_radius ( ) const

inline

map()

static map_type & pseudopotential::element::map ( )

inlinestaticprivate

ltrim()

static std::string & pseudopotential::element::ltrim ( std::string &  str, const std::string &  chars = "\t\n\v\f\r "  )

inlinestaticprivate

rtrim()

static std::string & pseudopotential::element::rtrim ( std::string &  str, const std::string &  chars = "\t\n\v\f\r "  )

inlinestaticprivate

trim()

static std::string pseudopotential::element::trim ( std::string  str, const std::string &  chars = "\t\n\v\f\r "  )

inlinestatic

Member Data Documentation

symbol_

std::string pseudopotential::element::symbol_

private

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

• /builds/octopus-code/octopus/src/species/element.hpp