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RemoveTranslationOptimizerState.h
Go to the documentation of this file.
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/**
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* \file IMP/atom/RemoveTranslationOptimizerState.h
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* \brief Remove rigid translation during optimization.
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*
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* Copyright 2007-2014 IMP Inventors. All rights reserved.
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*
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*/
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#ifndef IMPATOM_REMOVE_TRANSLATION_OPTIMIZER_STATE_H
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#define IMPATOM_REMOVE_TRANSLATION_OPTIMIZER_STATE_H
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#include <IMP/atom/atom_config.h>
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#include <
IMP/kernel/Particle.h
>
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#include <
IMP/base_types.h
>
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#include <
IMP/OptimizerState.h
>
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IMPATOM_BEGIN_NAMESPACE
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//! Removes rigid translation from the particles.
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/** Recenters the bunch of particles by putting the very first particle
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at the origin and rigidly translating all the others.
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*/
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class
IMPATOMEXPORT
RemoveTranslationOptimizerState
:
public
OptimizerState
{
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public
:
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RemoveTranslationOptimizerState
(
kernel::Model
*m,
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kernel::ParticleIndexesAdaptor
pis);
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//! Set the particles to use.
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void
set_particles
(
const
kernel::Particles
&pis) { pis_ = pis; }
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//! Remove translation now
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void
remove_translation()
const
;
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IMP_OBJECT_METHODS
(
RemoveTranslationOptimizerState
);
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protected
:
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virtual
void
do_update
(
unsigned
int
call)
IMP_OVERRIDE
;
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private
:
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kernel::Particles
pis_;
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};
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IMP_OBJECTS
(
RemoveTranslationOptimizerState
,
RemoveTranslationOptimizerStates
);
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IMPATOM_END_NAMESPACE
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#endif
/* IMPATOM_REMOVE_TRANSLATION_OPTIMIZER_STATE_H */
base_types.h
Import IMP/kernel/base_types.h in the namespace.
IMP::kernel::OptimizerState::do_update
virtual void do_update(unsigned int)
Definition:
kernel/OptimizerState.h:119
IMP_OBJECT_METHODS
#define IMP_OBJECT_METHODS(Name)
Define the basic things needed by any Object.
Definition:
object_macros.h:25
IMP::kernel::OptimizerState
Shared optimizer state that is invoked upon commitment of new coordinates.
Definition:
kernel/OptimizerState.h:43
IMP::base::Vector< base::Pointer< Particle > >
IMP::kernel::ParticleIndexesAdaptor
Definition:
kernel/particle_index.h:50
IMP::atom::RemoveTranslationOptimizerState::set_particles
void set_particles(const kernel::Particles &pis)
Set the particles to use.
Definition:
RemoveTranslationOptimizerState.h:29
Particle.h
Classes to handle individual model particles. (Note that implementation of inline functions in in int...
IMP_OBJECTS
#define IMP_OBJECTS(Name, PluralName)
Define the types for storing sets of objects.
Definition:
object_macros.h:52
IMP::atom::RemoveTranslationOptimizerState
Removes rigid translation from the particles.
Definition:
RemoveTranslationOptimizerState.h:23
OptimizerState.h
Import IMP/kernel/OptimizerState.h in the namespace.
IMP_OVERRIDE
#define IMP_OVERRIDE
Cause a compile error if this method does not override a parent method.
Definition:
compiler_macros.h:75
IMP::kernel::Model
Class for storing model, its restraints, constraints, and particles.
Definition:
kernel/Model.h:73