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IMP Reference Guide  develop.d97d4ead1f,2024/11/21
The Integrative Modeling Platform
version 20241121.develop.d97d4ead1f
MinimumPairScore.h
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1 // Autogenerated by ../../../../tmp/nightly-build-472/imp-20241121.develop.d97d4ead1f/tools/build/make_containers.py
2 // from ../../../../tmp/nightly-build-472/imp-20241121.develop.d97d4ead1f/tools/build/container_templates/container/MinimumClassnameScore.h
3 // Do not edit - any changes will be lost!
4 
5 /**
6  * \file IMP/container/MinimumPairScore.h
7  * \brief Define PairScore.
8  *
9  * Copyright 2007-2022 IMP Inventors. All rights reserved.
10  */
11 
12 #ifndef IMPCONTAINER_MINIMUM_PAIR_SCORE_H
13 #define IMPCONTAINER_MINIMUM_PAIR_SCORE_H
14 
15 #include <IMP/container/container_config.h>
16 #include <IMP/PairScore.h>
17 #include <IMP/pair_macros.h>
18 
19 IMPCONTAINER_BEGIN_NAMESPACE
20 
21 //! Evaluate the min or max n particle_pair scores of the passed set
22 /** Each of the set of PairScores is evaluated and the sum of the
23  minimum n is returned.
24 */
25 class IMPCONTAINEREXPORT MinimumPairScore : public PairScore {
26  PairScores scores_;
27  unsigned int n_;
28 
29  public:
30  MinimumPairScore(const PairScoresTemp &scores, unsigned int n = 1,
31  std::string name = "PairScore %1%");
32  virtual double evaluate_index(Model *m, const ParticleIndexPair& vt,
33  DerivativeAccumulator *da) const override;
34  virtual ModelObjectsTemp do_get_inputs(
35  Model *m, const ParticleIndexes &pis) const override;
36  IMP_PAIR_SCORE_METHODS(MinimumPairScore);
37  IMP_OBJECT_METHODS(MinimumPairScore);
38 
39  Restraints do_create_current_decomposition(Model *m,
40  const ParticleIndexPair& vt) const
41  override;
42 };
43 
44 IMP_OBJECTS(MinimumPairScore, MinimumPairScores);
45 
46 IMPCONTAINER_END_NAMESPACE
47 
48 #endif /* IMPCONTAINER_MINIMUM_PAIR_SCORE_H */
IMP::PairScore
Abstract class for scoring object(s) of type ParticleIndexPair.
Definition: PairScore.h:44
IMP::PairScore::do_create_current_decomposition
virtual Restraints do_create_current_decomposition(Model *m, const ParticleIndexPair &vt) const
Override this to return your own decomposition.
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
IMP::Model
Class for storing model, its restraints, constraints, and particles.
Definition: Model.h:86
PairScore.h
Define PairScore.
IMP::ParticleInputs::do_get_inputs
virtual ModelObjectsTemp do_get_inputs(Model *m, const ParticleIndexes &pis) const =0
Overload this method to specify the inputs.
IMP::container::MinimumPairScore
Evaluate the min or max n particle_pair scores of the passed set.
Definition: MinimumPairScore.h:25
IMP_OBJECTS
#define IMP_OBJECTS(Name, PluralName)
Define the types for storing lists of object pointers.
Definition: object_macros.h:44
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::DerivativeAccumulator
Class for adding derivatives from restraints to the model.
Definition: DerivativeAccumulator.h:24