IMP  2.1.1
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 paricles.
4  *
5  * Copyright 2007-2013 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/base/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  */
34  DerivativeAccumulator *da) const IMP_OVERRIDE;
36  kernel::Model *m, const kernel::ParticleIndexes &pis) const;
39  ;
40 };
41 
42 IMPCORE_END_NAMESPACE
43 
44 #endif /* IMPCORE_REFINED_PAIRS_PAIR_SCORE_H */
Generate pairs to score by applying a Refiner.
Class for adding derivatives from restraints to the model.
Import IMP/kernel/pair_macros.h in the namespace.
A nullptr-initialized pointer to an IMP Object.
virtual double evaluate_index(kernel::Model *m, const ParticleIndexPair &vt, DerivativeAccumulator *da) const
Compute the score and the derivative if needed.
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.
#define IMP_PAIR_SCORE_METHODS(Name)
A class to store an fixed array of same-typed values.
Definition: base/Array.h:33
Abstract score function.
Import IMP/kernel/Refiner.h in the namespace.
virtual ModelObjectsTemp do_get_inputs(kernel::Model *m, const ParticleIndexes &pis) const
Import IMP/kernel/PairScore.h in the namespace.
#define IMP_OBJECT_METHODS(Name)
Define the basic things needed by any Object.
Abstract class to implement hierarchical methods.
Class for storing model, its restraints, constraints, and particles.