IMP  2.0.0
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 2007-2013 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 
20 IMPCORE_BEGIN_NAMESPACE
21 
22 //! Accumulate the derivatives of the refined particles.
23 /** \see DerivativesToRefined
24  \see CoverRefined
25  \see CentroidOfRefinedSingletonModifer
26  An example showing a how to use such a score state to maintain a cover
27  of the atoms of a protein by a sphere per residue.
28  \pythonexample{cover_particles}
29  */
30 class IMPCOREEXPORT DerivativesFromRefined:
31 public SingletonDerivativeModifier
32 {
33  IMP::OwnerPointer<Refiner> refiner_;
34  FloatKeys ks_;
35 public:
36  //! Copy ks from the particles returned by r.
38  FloatKeys ks
39  = XYZ::get_xyz_keys());
40 
42 };
43 
44 IMPCORE_END_NAMESPACE
45 
46 #endif /* IMPCORE_DERIVATIVES_FROM_REFINED_H */