atom/Hierarchy.h File Reference

Decorator for helping deal with a hierarchy of molecules. More...

#include <IMP/atom/atom_config.h>
#include <IMP/core/utility.h>
#include <IMP/core/Hierarchy.h>
#include "bond_decorators.h"
#include "atom_macros.h"
#include <IMP/core/XYZR.h>
#include <IMP/core/rigid_bodies.h>
#include <IMP/core/Gaussian.h>
#include <IMP/Particle.h>
#include <IMP/Model.h>
#include <vector>
#include <deque>

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Classes
class	IMP::atom::Hierarchy
	The standard decorator for manipulating molecular structures. 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.

Macros
#define	IMP_ATOM_CAPS_NAME(UCName, lcname, CAPSNAME)   CAPSNAME
#define	IMP_ATOM_FOREACH_HIERARCHY_TYPE_FUNCTIONS(macro)
#define	IMP_ATOM_FOREACH_HIERARCHY_TYPE_LIST(macro)
#define	IMP_ATOM_FOREACH_HIERARCHY_TYPE_STATEMENTS(macro)

Typedefs
typedef IMP::Vector< Hierarchy >	IMP::atom::Hierarchies

Enumerations
enum	IMP::atom::GetByType {   ATOM_TYPE, RESIDUE_TYPE, CHAIN_TYPE, MOLECULE_TYPE,   DOMAIN_TYPE, FRAGMENT_TYPE, XYZ_TYPE, XYZR_TYPE,   MASS_TYPE, STATE_TYPE }
	The different types which can be passed to get_by_type() More...

Functions
IMP::core::RigidBody	IMP::atom::create_compatible_rigid_body (Hierarchy h, Hierarchy reference)
	Rigidify a molecule or collection of molecules. More...
IMP::core::RigidBody	IMP::atom::create_rigid_body (const Hierarchies &h, std::string name=std::string("created rigid body"))
	Rigidify a molecule or collection of molecules. More...
IMP::core::RigidBody	IMP::atom::create_rigid_body (Hierarchy h)

Detailed Description

Decorator for helping deal with a hierarchy of molecules.

Copyright 2007-2022 IMP Inventors. All rights reserved.

Definition in file atom/Hierarchy.h.