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IMP Reference Guide  develop.29b24c6ad6,2021/05/15
The Integrative Modeling Platform
DerivativesFromRefined.h
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1 /**
2  * \file IMP/core/DerivativesFromRefined.h
3  * \brief Accumulate the derivatives of the refined particles
4  *
5  * Copyright 2007-2021 IMP Inventors. All rights reserved.
6  */
7 
8 #ifndef IMPCORE_DERIVATIVES_FROM_REFINED_H
9 #define IMPCORE_DERIVATIVES_FROM_REFINED_H
10 
11 #include <IMP/core/core_config.h>
12 
13 #include "XYZ.h"
14 #include <IMP/Refiner.h>
15 #include <IMP/singleton_macros.h>
16 #include <IMP/Pointer.h>
18 
19 IMPCORE_BEGIN_NAMESPACE
20 
21 //! Accumulate the derivatives of the refined particles.
22 /** \see DerivativesToRefined
23  \see CoverRefined
24  \see CentroidOfRefinedSingletonModifier
25  An example showing a how to use such a score state to maintain a cover
26  of the atoms of a protein by a sphere per residue.
27  \include cover_particles.py
28  */
29 class IMPCOREEXPORT DerivativesFromRefined
32  FloatKeys ks_;
33 
34  public:
35  //! Copy ks from the particles returned by r.
36  DerivativesFromRefined(Refiner *r, FloatKeys ks = XYZ::get_xyz_keys());
37 
38  virtual void apply_index(Model *m, ParticleIndex a) const
41  Model *m, const ParticleIndexes &pis) const IMP_OVERRIDE;
43  Model *m, const ParticleIndexes &pis) const IMP_OVERRIDE;
46 };
47 
48 IMPCORE_END_NAMESPACE
49 
50 #endif /* IMPCORE_DERIVATIVES_FROM_REFINED_H */
A base class for modifiers of ParticlesTemp.
#define IMP_OBJECT_METHODS(Name)
Define the basic things needed by any Object.
Definition: object_macros.h:25
Macros for various classes.
Accumulate the derivatives of the refined particles.
virtual ModelObjectsTemp do_get_outputs(Model *m, const ParticleIndexes &pis) const =0
Overload this method to specify the outputs.
Simple XYZ decorator.
Class for storing model, its restraints, constraints, and particles.
Definition: Model.h:72
#define IMP_SINGLETON_MODIFIER_METHODS(Name)
Refine a particle into a list of particles.
A Modifier on ParticlesTemp.
A smart pointer to a ref-counted Object that is a class member.
Definition: Pointer.h:146
virtual ModelObjectsTemp do_get_inputs(Model *m, const ParticleIndexes &pis) const =0
Overload this method to specify the inputs.
A nullptr-initialized pointer to an IMP Object.
virtual void apply_index(Model *m, ParticleIndex v) const =0
Abstract class to implement hierarchical methods.
Definition: Refiner.h:34
#define IMP_OVERRIDE
Cause a compile error if this method does not override a parent method.