IMP  2.2.1
The Integrative Modeling Platform
AngleTripletScore.h
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1 /**
2  * \file IMP/core/AngleTripletScore.h
3  * \brief A Score on the angle between three particles.
4  *
5  * Copyright 2007-2014 IMP Inventors. All rights reserved.
6  */
7 
8 #ifndef IMPCORE_ANGLE_TRIPLET_SCORE_H
9 #define IMPCORE_ANGLE_TRIPLET_SCORE_H
10 
11 #include <IMP/core/core_config.h>
12 #include <IMP/generic.h>
13 #include <IMP/TripletScore.h>
14 #include <IMP/UnaryFunction.h>
15 #include <IMP/base/Pointer.h>
16 #include <IMP/triplet_macros.h>
17 
18 IMPCORE_BEGIN_NAMESPACE
19 
20 //! Apply a function to the angle between three particles.
21 /** */
22 class IMPCOREEXPORT AngleTripletScore : public TripletScore {
24 
25  public:
26  //! Score the angle (in radians) using f
28  virtual double evaluate_index(kernel::Model *m,
30  DerivativeAccumulator *da) const IMP_OVERRIDE;
32  kernel::Model *m, const kernel::ParticleIndexes &pis) const IMP_OVERRIDE;
35 };
36 
37 IMPCORE_END_NAMESPACE
38 
39 #endif /* IMPCORE_ANGLE_TRIPLET_SCORE_H */
Class for adding derivatives from restraints to the model.
Apply a function to the angle between three particles.
A nullptr-initialized pointer to an IMP Object.
Import IMP/kernel/triplet_macros.h in the namespace.
A smart pointer to a ref-counted Object that is a class memeber.
Definition: base/Pointer.h:147
Import IMP/kernel/UnaryFunction.h in the namespace.
virtual double evaluate_index(kernel::Model *m, const kernel::ParticleIndexTriplet &vt, DerivativeAccumulator *da) const
Compute the score and the derivative if needed.
Abstract single variable functor class for score functions.
A class to store an fixed array of same-typed values.
Definition: base/Array.h:33
virtual ModelObjectsTemp do_get_inputs(kernel::Model *m, const ParticleIndexes &pis) const
Import IMP/kernel/TripletScore.h in the namespace.
#define IMP_OBJECT_METHODS(Name)
Define the basic things needed by any Object.
#define IMP_TRIPLET_SCORE_METHODS(Name)
Abstract score function.
Class for storing model, its restraints, constraints, and particles.
Definition: kernel/Model.h:72
Import IMP/kernel/generic.h in the namespace.