atom/Atom.h File Reference

Simple atom decorator. More...

#include <IMP/atom/atom_config.h>
#include "atom_macros.h"
#include "Residue.h"
#include "Hierarchy.h"
#include "element.h"
#include <IMP/core/utility.h>
#include <IMP/core/XYZ.h>
#include <IMP/base_types.h>
#include <IMP/Particle.h>
#include <IMP/Model.h>
#include <vector>
#include <deque>

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Classes
class	IMP::atom::Atom
	A decorator for a particle representing an atom. More...

Namespaces
	IMP
	Base functionality and abstract base classes for representation, scoring and sampling.
	IMP::atom
	Functionality for loading, creating, manipulating and scoring atomic structures.

Typedefs
typedef IMP::Vector< Atom >	IMP::atom::Atoms
typedef Key< 8974343 >	IMP::atom::AtomType
typedef IMP::Vector< AtomType >	IMP::atom::AtomTypes

Functions
AtomType	IMP::atom::add_atom_type (std::string name, Element e)
	Create a new AtomType. More...
Atom	IMP::atom::get_atom (Residue rd, AtomType at)
	Return a particle atom from the residue. More...
bool	IMP::atom::get_atom_type_exists (std::string name)
	Return true if that atom type already exists. More...
Element	IMP::atom::get_element_for_atom_type (AtomType at)
Residue	IMP::atom::get_residue (Atom d, bool nothrow=false)
	Return the Residue containing this atom. More...

Variables
const AtomType	IMP::atom::AT_CA
const AtomType	IMP::atom::AT_N
const AtomType	IMP::atom::AT_UNKNOWN

Detailed Description

Simple atom decorator.

Copyright 2007-2022 IMP Inventors. All rights reserved.

Definition in file atom/Atom.h.