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IMP Reference Guide  develop.94629e1a1f,2022/05/26
The Integrative Modeling Platform
PairsRestraint.h
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1 // Autogenerated by ../../../../tmp/nightly-build-402/imp-20220526.develop.94629e1a1f/tools/build/make_containers.py
2 // from ../../../../tmp/nightly-build-402/imp-20220526.develop.94629e1a1f/tools/build/container_templates/container/ClassnamesRestraint.h
3 // Do not edit - any changes will be lost!
4 
5 /**
6  * \file IMP/container/PairsRestraint.h
7  * \brief Apply a PairScore to each Pair in a list.
8  *
9  * Copyright 2007-2022 IMP Inventors. All rights reserved.
10  *
11  */
12 
13 #ifndef IMPCONTAINER_PAIRS_RESTRAINT_H
14 #define IMPCONTAINER_PAIRS_RESTRAINT_H
15 
16 #include <IMP/container/container_config.h>
17 #include <IMP/internal/ContainerRestraint.h>
18 #include <IMP/PairContainer.h>
19 #include <IMP/PairScore.h>
20 
21 IMPCONTAINER_BEGIN_NAMESPACE
22 
23 //! Applies a PairScore to each Pair in a list.
24 /** This restraint stores the used particle indexes in a ParticleIndexPairs.
25  The container used can be set so that the list can be shared
26  with other containers (or a nonbonded list can be used).
27 
28  Examples using various multiplicity containers:
29  \include restrain_in_sphere.py
30  \include nonbonded_interactions.py
31 
32  \see IMP::core::PairRestraint
33  */
35 #if defined(SWIG) || defined(IMP_DOXYGEN)
36  public Restraint
37 #else
38  public IMP::internal::ContainerRestraint<PairScore, PairContainer>
39 #endif
40  {
41  typedef IMP::internal::ContainerRestraint<
43 
44  public:
45  //! Create the restraint with a shared container
46  /** \param[in] ss The function to apply to each particle.
47  \param[in] pc The container containing the stored particles. This
48  container is not copied.
49  \param[in] name The object name
50  */
52  std::string name = "PairsRestraint %1%")
53  : P(ss, pc, name) {}
54 
55 #if defined(IMP_DOXYGEN) || defined(SWIG)
56  double unprotected_evaluate(IMP::DerivativeAccumulator *accum) const;
57  IMP::ModelObjectsTemp do_get_inputs() const;
59 #endif
60 };
61 
63 
64 IMPCONTAINER_END_NAMESPACE
65 
66 #endif /* IMPCONTAINER_PAIRS_RESTRAINT_H */
Abstract class for scoring object(s) of type ParticleIndexPair.
Definition: PairScore.h:42
A shared container for Pairs.
Definition: PairContainer.h:37
PairsRestraint(PairScore *ss, PairContainerAdaptor pc, std::string name="PairsRestraint %1%")
Create the restraint with a shared container.
#define IMP_OBJECT_METHODS(Name)
Define the basic things needed by any Object.
Definition: object_macros.h:25
A container for Pairs.
Define PairScore.
#define IMP_OBJECTS(Name, PluralName)
Define the types for storing lists of object pointers.
Definition: object_macros.h:44
Applies a PairScore to each Pair in a list.
Class for adding derivatives from restraints to the model.
A restraint is a term in an IMP ScoringFunction.
Definition: Restraint.h:53