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2.4.0
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include
IMP
atom
Representation.h
Go to the documentation of this file.
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/**
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* \file IMP/atom/Representation.h \brief A decorator for Representations.
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*
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* Copyright 2007-2015 IMP Inventors. All rights reserved.
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*
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*/
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#ifndef IMPATOM_REPRESENTATION_H
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#define IMPATOM_REPRESENTATION_H
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#include <IMP/atom/atom_config.h>
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#include "
atom_macros.h
"
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#include "
Hierarchy.h
"
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#include <
IMP/base_types.h
>
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#include <
IMP/kernel/Particle.h
>
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#include <
IMP/kernel/Model.h
>
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#include <
IMP/Decorator.h
>
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IMPATOM_BEGIN_NAMESPACE
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IMPATOMEXPORT
extern
const
double
ALL_RESOLUTIONS;
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/** Eventually, other types of representation will be supported, eg Gaussians or
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* density maps. */
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enum
RepresentationType
{
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BALLS = 0,
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GAUSSIANS = 1
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};
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//! A decorator for a representation.
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/** It stores a number of copies of its sub hierarchy each with an associated
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* resolution. You can use it to get the representation at a given resolution.
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* \note The particle returned for a given representation should be thought of
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* as replacing this particle (not as a child of it).
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*
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* \note Only one Representation node is allowed in any path up the tree as
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* nesting them does not have a clear meaning.
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*/
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class
IMPATOMEXPORT
Representation
:
public
Hierarchy
{
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static
IntsKey
get_types_key();
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static
ParticleIndexesKey
get_representations_key();
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static
FloatKey
get_resolution_key(
unsigned
int
index);
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static
FloatKey
get_base_resolution_key();
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static
void
do_setup_particle(
kernel::Model
*m,
kernel::ParticleIndex
pi,
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double
resolution = -1);
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public
:
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IMP_DECORATOR_SETUP_0
(
Representation
);
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/** For testing only. Will go away. */
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IMP_DECORATOR_SETUP_1
(
Representation
,
double
, resolution);
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IMP_DECORATOR_METHODS
(
Representation
,
Hierarchy
);
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static
bool
get_is_setup
(
kernel::Model
*m,
kernel::ParticleIndex
pi) {
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return
m->get_has_attribute(get_base_resolution_key(), pi);
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}
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/** Return the children at the resolution closest to `resolution` of the
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* passed type. */
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Hierarchy
get_representation(
double
resolution,
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RepresentationType
type = BALLS);
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//! Return all children at all resolutions.
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Hierarchies
get_representations(
RepresentationType
type = BALLS);
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//! Add the representation for the given resolution.
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/** If the resolution is
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not given it is computed using get_resolution().
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Currently only a type of 'BALLS' is supported; eventually, other types
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of representation may be supported, eg Gaussians or density maps.
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\note The resolution parameter will go away, as, most likely will the type.
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*/
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void
add_representation(
kernel::ParticleIndexAdaptor
rep,
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RepresentationType
type = BALLS,
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double
resolution = -1);
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/** Return a list of all resolutions that are available for a specific
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* RepresentationType. */
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Floats
get_resolutions(
RepresentationType
type = BALLS)
const
;
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};
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IMP_DECORATORS
(Representation, Representations, Hierarchies);
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/** Return an estimate of the resolution of the hierarchy as used by
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Representation.
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It is currently the inverse average radius of the leaves. */
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IMPATOMEXPORT
double
get_resolution
(
kernel::Model
*m,
kernel::ParticleIndex
pi);
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/** \copydoc get_resolution(kernel::Model, kernel::ParticleIndex) */
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inline
double
get_resolution
(
Hierarchy
h) {
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return
get_resolution
(h.
get_model
(), h.
get_particle_index
());
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}
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IMPATOM_END_NAMESPACE
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#endif
/* IMPATOM_REPRESENTATION_H */
Decorator.h
Import IMP/kernel/Decorator.h in the namespace.
IMP::kernel::Decorator::get_particle_index
ParticleIndex get_particle_index() const
Returns the particle index decorated by this decorator.
Definition:
kernel/Decorator.h:186
IMP::kernel::Key
A base class for Keys.
Definition:
kernel/Key.h:46
base_types.h
Import IMP/kernel/base_types.h in the namespace.
IMP::atom::RepresentationType
RepresentationType
Definition:
Representation.h:26
IMP_DECORATOR_METHODS
#define IMP_DECORATOR_METHODS(Name, Parent)
Definition:
kernel/decorator_macros.h:27
IMP::kernel::Decorator::get_model
Model * get_model() const
Returns the Model containing the particle.
Definition:
kernel/Decorator.h:189
IMP::atom::Hierarchy::get_is_setup
static bool get_is_setup(kernel::Model *m, kernel::ParticleIndex p)
Definition:
atom/Hierarchy.h:286
IMP::base::Vector< Hierarchy >
Hierarchy.h
Decorator for helping deal with a hierarchy of molecules.
IMP::atom::Representation
A decorator for a representation.
Definition:
Representation.h:40
IMP::atom::Hierarchy
The standard decorator for manipulating molecular structures.
Definition:
atom/Hierarchy.h:203
IMP_DECORATOR_SETUP_0
#define IMP_DECORATOR_SETUP_0(Name)
Definition:
kernel/decorator_macros.h:111
IMP::kernel::IntsKey
Key< 5, true > IntsKey
The type used to identify int attributes in the Particles.
Definition:
kernel/base_types.h:56
IMP::atom::get_resolution
double get_resolution(Hierarchy h)
Definition:
Representation.h:94
IMP::base::Index< ParticleIndexTag >
Model.h
Storage of a model, its restraints, constraints and particles.
Particle.h
Classes to handle individual model particles. (Note that implementation of inline functions in in int...
atom_macros.h
Various important macros for implementing decorators.
IMP_DECORATOR_SETUP_1
#define IMP_DECORATOR_SETUP_1(Name, FirstArgumentType, first_argument_name)
Definition:
kernel/decorator_macros.h:125
IMP_DECORATORS
#define IMP_DECORATORS(Name, PluralName, Parent)
Define the types for storing sets of decorators.
Definition:
kernel/decorator_macros.h:377
IMP::kernel::Model
Class for storing model, its restraints, constraints, and particles.
Definition:
kernel/Model.h:73
IMP::kernel::ParticleIndexAdaptor
Definition:
kernel/particle_index.h:32