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IMP Reference Guide  2.13.0
The Integrative Modeling Platform
version 2.13.0
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 2007-2020 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 {
25  IMP::PointerMember<Refiner> r_;
26  IMP::PointerMember<PairScore> f_;
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  */
32  RefinedPairsPairScore(Refiner *r, PairScore *f);
33  double evaluate_index(Model *m, const ParticleIndexPair &p,
34  DerivativeAccumulator *da) const IMP_OVERRIDE;
35  ModelObjectsTemp do_get_inputs(
36  Model *m, const ParticleIndexes &pis) const;
37  IMP_PAIR_SCORE_METHODS(RefinedPairsPairScore);
38  IMP_OBJECT_METHODS(RefinedPairsPairScore);
39  ;
40 };
41 
42 IMPCORE_END_NAMESPACE
43 
44 #endif /* IMPCORE_REFINED_PAIRS_PAIR_SCORE_H */
IMP::PairScore
Abstract class for scoring object(s) of type ParticleIndexPair.
Definition: PairScore.h:37
IMP::core::RefinedPairsPairScore
Generate pairs to score by applying a Refiner.
Definition: RefinedPairsPairScore.h:24
pair_macros.h
Macros for various classes.
IMP_PAIR_SCORE_METHODS
#define IMP_PAIR_SCORE_METHODS(Name)
Definition: pair_macros.h:25
IMP_OBJECT_METHODS
#define IMP_OBJECT_METHODS(Name)
Define the basic things needed by any Object.
Definition: object_macros.h:25
UnaryFunction.h
Single variable function.
IMP::Vector
A more IMP-like version of the std::vector.
Definition: Vector.h:39
IMP::Model
Class for storing model, its restraints, constraints, and particles.
Definition: Model.h:72
Refiner.h
Refine a particle into a list of particles.
PairScore.h
Define PairScore.
IMP::PointerMember
A smart pointer to a ref-counted Object that is a class member.
Definition: Pointer.h:146
IMP::ParticleInputs::do_get_inputs
virtual ModelObjectsTemp do_get_inputs(Model *m, const ParticleIndexes &pis) const =0
Overload this method to specify the inputs.
Pointer.h
A nullptr-initialized pointer to an IMP Object.
IMP::Refiner
Abstract class to implement hierarchical methods.
Definition: Refiner.h:34
IMP::PairScore::evaluate_index
virtual double evaluate_index(Model *m, const ParticleIndexPair &vt, DerivativeAccumulator *da) const =0
Compute the score and the derivative if needed.
IMP_OVERRIDE
#define IMP_OVERRIDE
Cause a compile error if this method does not override a parent method.
Definition: compiler_macros.h:78
IMP::DerivativeAccumulator
Class for adding derivatives from restraints to the model.
Definition: DerivativeAccumulator.h:25