IMP  2.0.0
The Integrative Modeling Platform
DerivativesToRefined.h
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1 /**
2  * \file IMP/core/DerivativesToRefined.h
3  * \brief Accumulate the derivatives of the refined particles
4  *
5  * Copyright 2007-2013 IMP Inventors. All rights reserved.
6  */
7 
8 #ifndef IMPCORE_DERIVATIVES_TO_REFINED_H
9 #define IMPCORE_DERIVATIVES_TO_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 //! Copy the derivatives from the particle to its refined particles.
22 /** \see DerivatvesFromRefinedSingletonModifier
23  \see CoverRefined
24  \see CentroidOfRefinedSingletonModifer
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  \pythonexample{cover_particles}
28  */
29 class IMPCOREEXPORT DerivativesToRefined:
30 public SingletonDerivativeModifier
31 {
32  IMP::OwnerPointer<Refiner> refiner_;
33  FloatKeys ks_;
34 public:
35  //! Copy ks to the particles returned by r.
37  FloatKeys ks
38  = XYZ::get_xyz_keys());
39 
41 };
42 
43 IMPCORE_END_NAMESPACE
44 
45 #endif /* IMPCORE_DERIVATIVES_TO_REFINED_H */