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IMP Reference Guide  develop.182d9373c4,2021/04/12
The Integrative Modeling Platform
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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Go to the source code of this file.

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 2007-2021 IMP Inventors. All rights reserved.

Definition in file atom/Hierarchy.h.