gemmi::Restraints::Bond Struct Reference

#include <chemcomp.hpp>

Public Member Functions
std::string	str () const
std::string	lexicographic_str () const
double	distance (DistanceOf of) const
template<typename T >
const AtomId *	other (const T &a) const

Static Public Member Functions
static const char *	what ()

Public Attributes
AtomId	id1
AtomId	id2
BondType	type
bool	aromatic
double	value
double	esd
double	value_nucleus
double	esd_nucleus

Detailed Description

Definition at line 71 of file chemcomp.hpp.

Member Function Documentation

what()

static const char * gemmi::Restraints::Bond::what ( )

inlinestatic

Definition at line 72 of file chemcomp.hpp.

str()

std::string gemmi::Restraints::Bond::str ( ) const

inline

Definition at line 80 of file chemcomp.hpp.

lexicographic_str()

std::string gemmi::Restraints::Bond::lexicographic_str ( ) const

inline

Definition at line 81 of file chemcomp.hpp.

distance()

double gemmi::Restraints::Bond::distance ( DistanceOf  of ) const

inline

Definition at line 84 of file chemcomp.hpp.

other()

template<typename T >

const AtomId * gemmi::Restraints::Bond::other ( const T &  a ) const

inline

Definition at line 87 of file chemcomp.hpp.

Member Data Documentation

id1

AtomId gemmi::Restraints::Bond::id1

Definition at line 73 of file chemcomp.hpp.

id2

AtomId gemmi::Restraints::Bond::id2

Definition at line 73 of file chemcomp.hpp.

type

BondType gemmi::Restraints::Bond::type

Definition at line 74 of file chemcomp.hpp.

aromatic

bool gemmi::Restraints::Bond::aromatic

Definition at line 75 of file chemcomp.hpp.

value

double gemmi::Restraints::Bond::value

Definition at line 76 of file chemcomp.hpp.

esd

double gemmi::Restraints::Bond::esd

Definition at line 77 of file chemcomp.hpp.

value_nucleus

double gemmi::Restraints::Bond::value_nucleus

Definition at line 78 of file chemcomp.hpp.

esd_nucleus

double gemmi::Restraints::Bond::esd_nucleus

Definition at line 79 of file chemcomp.hpp.

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

• /home/wojdyr/gemmi/gemmi/include/gemmi/chemcomp.hpp