gemmi::Element Struct Reference

#include <elem.hpp>

Public Member Functions
	Element (El e) noexcept
	Element (const char *str) noexcept
	Element (const std::string &s) noexcept
	Element (int number) noexcept
	operator El () const
bool	operator== (El e) const
bool	operator!= (El e) const
bool	operator!= (Element o) const
int	ordinal () const
int	atomic_number () const
bool	is_hydrogen () const
double	weight () const
float	covalent_r () const
float	vdw_r () const
bool	is_metal () const
const char *	name () const
const char *	uname () const

Public Attributes
El	elem

Detailed Description

Definition at line 294 of file elem.hpp.

Constructor & Destructor Documentation

Element() [1/4]

gemmi::Element::Element ( El  e )

inlinenoexcept

Definition at line 297 of file elem.hpp.

Element() [2/4]

gemmi::Element::Element ( const char *  str )

inlineexplicitnoexcept

Definition at line 298 of file elem.hpp.

Element() [3/4]

gemmi::Element::Element ( const std::string &  s )

inlineexplicitnoexcept

Definition at line 299 of file elem.hpp.

Element() [4/4]

gemmi::Element::Element ( int  number )

inlineexplicitnoexcept

Definition at line 300 of file elem.hpp.

Member Function Documentation

operator El()

gemmi::Element::operator El ( ) const

inline

Definition at line 302 of file elem.hpp.

operator==()

bool gemmi::Element::operator== ( El  e ) const

inline

Definition at line 303 of file elem.hpp.

operator!=() [1/2]

bool gemmi::Element::operator!= ( El  e ) const

inline

Definition at line 304 of file elem.hpp.

operator!=() [2/2]

bool gemmi::Element::operator!= ( Element  o ) const

inline

Definition at line 306 of file elem.hpp.

ordinal()

int gemmi::Element::ordinal ( ) const

inline

Definition at line 308 of file elem.hpp.

atomic_number()

int gemmi::Element::atomic_number ( ) const

inline

Definition at line 309 of file elem.hpp.

is_hydrogen()

bool gemmi::Element::is_hydrogen ( ) const

inline

Definition at line 310 of file elem.hpp.

weight()

double gemmi::Element::weight ( ) const

inline

Definition at line 311 of file elem.hpp.

covalent_r()

float gemmi::Element::covalent_r ( ) const

inline

Definition at line 312 of file elem.hpp.

vdw_r()

float gemmi::Element::vdw_r ( ) const

inline

Definition at line 313 of file elem.hpp.

is_metal()

bool gemmi::Element::is_metal ( ) const

inline

Definition at line 314 of file elem.hpp.

name()

const char * gemmi::Element::name ( ) const

inline

Definition at line 316 of file elem.hpp.

uname()

const char * gemmi::Element::uname ( ) const

inline

Definition at line 318 of file elem.hpp.

Member Data Documentation

elem

El gemmi::Element::elem

Definition at line 295 of file elem.hpp.

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

• include/gemmi/elem.hpp