gemmi::ChemComp::Atom Struct Reference

#include <chemcomp.hpp>

Public Member Functions
bool	is_hydrogen () const

Public Attributes
std::string	id
std::string	old_id
Element	el = El::X
float	charge = 0
std::string	chem_type
Position	xyz

Detailed Description

Definition at line 342 of file chemcomp.hpp.

Member Function Documentation

is_hydrogen()

bool gemmi::ChemComp::Atom::is_hydrogen ( ) const

inline

Definition at line 353 of file chemcomp.hpp.

Member Data Documentation

id

std::string gemmi::ChemComp::Atom::id

Definition at line 343 of file chemcomp.hpp.

old_id

std::string gemmi::ChemComp::Atom::old_id

Definition at line 344 of file chemcomp.hpp.

el

Element gemmi::ChemComp::Atom::el = El::X

Definition at line 345 of file chemcomp.hpp.

charge

float gemmi::ChemComp::Atom::charge = 0

Definition at line 349 of file chemcomp.hpp.

chem_type

std::string gemmi::ChemComp::Atom::chem_type

Definition at line 350 of file chemcomp.hpp.

xyz

Position gemmi::ChemComp::Atom::xyz

Definition at line 351 of file chemcomp.hpp.

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

• include/gemmi/chemcomp.hpp