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IMP Reference Guide  develop.b99932598c,2021/06/14
The Integrative Modeling Platform
RigidBodyPackingScore.h
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1 /**
2  * \file IMP/spb/RigidBodyPackingScore.h
3  * \brief A Score on the crossing angle between two rigid bodies
4  *
5  * Copyright 2007-2021 IMP Inventors. All rights reserved.
6  */
7 
8 #ifndef IMPSPB_RIGID_BODY_PACKING_SCORE_H
9 #define IMPSPB_RIGID_BODY_PACKING_SCORE_H
10 
11 #include <IMP/spb/spb_config.h>
12 #include <IMP/Pointer.h>
13 #include <IMP/PairScore.h>
14 #include <IMP/core/TableRefiner.h>
15 #include <IMP/pair_macros.h>
16 
17 IMPSPB_BEGIN_NAMESPACE
18 
19 //! Score on the crossing angles between two helices
20 class IMPSPBEXPORT RigidBodyPackingScore : public PairScore {
22  Floats omb_, ome_, ddb_, dde_;
23  double kappa_;
24 
25  public:
27  Floats ddb, Floats dde, double kappa);
28 
29  virtual double evaluate_index(IMP::Model *m, const IMP::ParticleIndexPair &p,
31 
33  IMP::Model *m, const IMP::ParticleIndexes &pis) const IMP_OVERRIDE;
34 
35  // void show(std::ostream &out) const ;
36 
39 };
40 
42 
43 IMPSPB_END_NAMESPACE
44 
45 #endif /* IMPSPB_RIGID_BODY_PACKING_SCORE_H */
Abstract class for scoring object(s) of type ParticleIndexPair.
Definition: PairScore.h:37
Macros for various classes.
#define IMP_PAIR_SCORE_METHODS(Name)
Definition: pair_macros.h:25
#define IMP_SHOWABLE(Name)
Class for storing model, its restraints, constraints, and particles.
Definition: Model.h:72
A lookup based particle refiner.
Definition: TableRefiner.h:21
Define PairScore.
Score on the crossing angles between two helices.
virtual ModelObjectsTemp do_get_inputs(Model *m, const ParticleIndexes &pis) const =0
Overload this method to specify the inputs.
#define IMP_OBJECTS(Name, PluralName)
Define the types for storing lists of object pointers.
Definition: object_macros.h:44
A nullptr-initialized pointer to an IMP Object.
A lookup based particle refiner.
virtual double evaluate_index(Model *m, const ParticleIndexPair &vt, DerivativeAccumulator *da) const =0
Compute the score and the derivative if needed.
#define IMP_OVERRIDE
Cause a compile error if this method does not override a parent method.
Class for adding derivatives from restraints to the model.