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IMP Reference Guide  2.20.0
The Integrative Modeling Platform
RefinedPairsPairScore.h
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1 /**
2  * \file IMP/core/RefinedPairsPairScore.h
3  * \brief Generate pairs by applying a Refiner to the particles.
4  *
5  * Copyright 2007-2022 IMP Inventors. All rights reserved.
6  */
7 
8 #ifndef IMPCORE_REFINED_PAIRS_PAIR_SCORE_H
9 #define IMPCORE_REFINED_PAIRS_PAIR_SCORE_H
10 
11 #include <IMP/core/core_config.h>
12 #include <IMP/PairScore.h>
13 #include <IMP/UnaryFunction.h>
14 #include <IMP/Pointer.h>
15 #include <IMP/Refiner.h>
16 #include <IMP/pair_macros.h>
17 
18 IMPCORE_BEGIN_NAMESPACE
19 
20 //! Generate pairs to score by applying a Refiner.
21 /** Each passed particle refined and then the PairScore applied
22  to all resulting pairs.
23  */
24 class IMPCOREEXPORT RefinedPairsPairScore : public PairScore {
27 
28  public:
29  /** \param[in] r The Refiner to call on each particle
30  \param[in] f The pair score to apply to the generated pairs
31  */
33  double evaluate_index(Model *m, const ParticleIndexPair &p,
34  DerivativeAccumulator *da) const override;
36  Model *m, const ParticleIndexes &pis) const override;
39  ;
40 };
41 
42 IMPCORE_END_NAMESPACE
43 
44 #endif /* IMPCORE_REFINED_PAIRS_PAIR_SCORE_H */
Abstract class for scoring object(s) of type ParticleIndexPair.
Definition: PairScore.h:44
Generate pairs to score by applying a Refiner.
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
Refine a particle into a list of particles.
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 class to implement hierarchical methods.
Definition: Refiner.h:34
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.