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IMP Reference Guide
2.11.0
The Integrative Modeling Platform
IMP Manual
Reference Guide
Tutorial Index
Modules
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Examples
include
IMP
core
version 2.11.0
DerivativesToRefined.h
Go to the documentation of this file.
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/**
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* \file IMP/core/DerivativesToRefined.h
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* \brief Accumulate the derivatives of the refined particles
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*
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* Copyright 2007-2019 IMP Inventors. All rights reserved.
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*/
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#ifndef IMPCORE_DERIVATIVES_TO_REFINED_H
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#define IMPCORE_DERIVATIVES_TO_REFINED_H
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#include <IMP/core/core_config.h>
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#include "
XYZ.h
"
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#include <
IMP/Refiner.h
>
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#include <
IMP/singleton_macros.h
>
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#include <
IMP/Pointer.h
>
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#include <
IMP/SingletonDerivativeModifier.h
>
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IMPCORE_BEGIN_NAMESPACE
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//! Copy the derivatives from a coarse particle to its refined particles
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/** \see DerivatvesFromRefinedSingletonModifier
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\see CoverRefined
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\see CentroidOfRefinedSingletonModifier
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An example showing a how to use such a score state to maintain a cover
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of the atoms of a protein by a sphere per residue.
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\include cover_particles.py
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*/
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class
IMPCOREEXPORT
DerivativesToRefined
:
public
SingletonDerivativeModifier
{
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IMP::PointerMember<Refiner>
refiner_;
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FloatKeys
ks_;
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public
:
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//! Copy ks to the particles returned by r.
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DerivativesToRefined
(
Refiner
*r,
FloatKeys
ks = XYZ::get_xyz_keys());
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virtual
void
apply_index
(
Model
*m,
ParticleIndex
a)
const
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IMP_OVERRIDE
;
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virtual
ModelObjectsTemp
do_get_inputs
(
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Model
*m,
const
ParticleIndexes
&pis)
const
IMP_OVERRIDE
;
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virtual
ModelObjectsTemp
do_get_outputs
(
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Model
*m,
const
ParticleIndexes
&pis)
const
IMP_OVERRIDE
;
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IMP_SINGLETON_MODIFIER_METHODS
(
DerivativesToRefined
);
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IMP_OBJECT_METHODS
(
DerivativesToRefined
);
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};
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IMPCORE_END_NAMESPACE
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#endif
/* IMPCORE_DERIVATIVES_TO_REFINED_H */
IMP::SingletonModifier
A base class for modifiers of ParticlesTemp.
Definition:
SingletonModifier.h:32
IMP::core::DerivativesToRefined
Copy the derivatives from a coarse particle to its refined particles.
Definition:
DerivativesToRefined.h:29
IMP_OBJECT_METHODS
#define IMP_OBJECT_METHODS(Name)
Define the basic things needed by any Object.
Definition:
object_macros.h:25
IMP::Index< ParticleIndexTag >
singleton_macros.h
Macros for various classes.
IMP::ParticleOutputs::do_get_outputs
virtual ModelObjectsTemp do_get_outputs(Model *m, const ParticleIndexes &pis) const =0
Overload this method to specify the outputs.
IMP::Vector< FloatKey >
XYZ.h
Simple XYZ decorator.
IMP::Model
Class for storing model, its restraints, constraints, and particles.
Definition:
Model.h:72
IMP_SINGLETON_MODIFIER_METHODS
#define IMP_SINGLETON_MODIFIER_METHODS(Name)
Definition:
singleton_macros.h:93
Refiner.h
Refine a particle into a list of particles.
SingletonDerivativeModifier.h
A Modifier on ParticlesTemp.
IMP::PointerMember
A smart pointer to a ref-counted Object that is a class member.
Definition:
Pointer.h:146
IMP::ParticleInputs::do_get_inputs
virtual ModelObjectsTemp do_get_inputs(Model *m, const ParticleIndexes &pis) const =0
Overload this method to specify the inputs.
Pointer.h
A nullptr-initialized pointer to an IMP Object.
IMP::SingletonModifier::apply_index
virtual void apply_index(Model *m, ParticleIndex v) const =0
IMP::Refiner
Abstract class to implement hierarchical methods.
Definition:
Refiner.h:34
IMP_OVERRIDE
#define IMP_OVERRIDE
Cause a compile error if this method does not override a parent method.
Definition:
compiler_macros.h:78