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IMP Reference Guide  2.20.0
The Integrative Modeling Platform
RigidBodyAnglePairScore.h
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1 /**
2  * \file IMP/core/RigidBodyAnglePairScore.h
3  * \brief A Score on the crossing angle between two rigid bodies
4  *
5  * Copyright 2007-2022 IMP Inventors. All rights reserved.
6  */
7 
8 #ifndef IMPCORE_RIGID_BODY_ANGLE_PAIR_SCORE_H
9 #define IMPCORE_RIGID_BODY_ANGLE_PAIR_SCORE_H
10 
11 #include <IMP/core/core_config.h>
12 
13 #include <IMP/PairScore.h>
14 #include <IMP/pair_macros.h>
15 #include <IMP/Pointer.h>
16 #include <IMP/UnaryFunction.h>
17 
18 IMPCORE_BEGIN_NAMESPACE
19 
20 //! Score on the crossing angle between two rigid bodies
21 class IMPCOREEXPORT RigidBodyAnglePairScore : public PairScore
22 {
24 public:
26 
27  virtual double evaluate_index(Model *m,
28  const ParticleIndexPair &pi,
29  DerivativeAccumulator *da) const override;
31  Model *m, const ParticleIndexes &pis) const override;
34 };
35 
36 IMPCORE_END_NAMESPACE
37 
38 #endif /* IMPCORE_RIGID_BODY_ANGLE_PAIR_SCORE_H */
Abstract class for scoring object(s) of type ParticleIndexPair.
Definition: PairScore.h:44
Score on the crossing angle between two rigid bodies.
Macros for various classes.
#define IMP_PAIR_SCORE_METHODS(Name)
Definition: pair_macros.h:25
#define IMP_OBJECT_METHODS(Name)
Define the basic things needed by any Object.
Definition: object_macros.h:25
Single variable function.
A more IMP-like version of the std::vector.
Definition: Vector.h:42
Class for storing model, its restraints, constraints, and particles.
Definition: Model.h:86
Define PairScore.
A smart pointer to a ref-counted Object that is a class member.
Definition: Pointer.h:143
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.
Abstract single variable functor class for score functions.
Definition: UnaryFunction.h:27
virtual double evaluate_index(Model *m, const ParticleIndexPair &vt, DerivativeAccumulator *da) const =0
Compute the score and the derivative if needed.
Class for adding derivatives from restraints to the model.