Auxilary type used to incapsulate the atom and its current coordinates Used internally in Selection::operator[] and in iterator access to Selection. More...

#include <atom_handler.h>

Public Member Functions
	AtomHandler (const Selection &sel, int i)

	AtomHandler (const System &sys, int i, int fr)

void	set (const Selection &sel, int i)

void	set (const System &sys, int i, int fr)

Inline accessors. Const and non-const versions.
const int &	index () const

int &	resid ()

const int &	resid () const

std::string &	name ()

const std::string &	name () const

char &	chain ()

const char &	chain () const

std::string &	resname ()

const std::string &	resname () const

std::string &	tag ()

const std::string &	tag () const

float &	occupancy ()

const float &	occupancy () const

float &	beta ()

const float &	beta () const

int &	resindex ()

const int &	resindex () const

float &	mass ()

const float &	mass () const

float &	charge ()

const float &	charge () const

int &	type ()

const int &	type () const

std::string &	type_name ()

const std::string &	type_name () const

float &	x ()

const float &	x () const

float &	y ()

const float &	y () const

float &	z ()

const float &	z () const

Eigen::Vector3f &	xyz ()

const Eigen::Vector3f &	xyz () const

Atom &	atom ()

const Atom &	atom () const

int &	atomic_number ()

const int &	atomic_number () const

std::string	element_name () const

float	vdw () const

Detailed Description

Auxilary type used to incapsulate the atom and its current coordinates Used internally in Selection::operator[] and in iterator access to Selection.

Objects of this class should not be created by the user in normal situation.

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

include/pteros/core/atom_handler.h
src/core/atom_handler.cpp

Public Member Functions

Detailed Description