IMP  2.3.1
The Integrative Modeling Platform
kernel/PairContainer.h
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1 /**
2  * \file IMP/kernel/PairContainer.h
3  * \brief A container for Pairs.
4  *
5  * WARNING This file was generated from PairContainer.h
6  * in /tmp/nightly-build-29065/imp-2.3.1/tools/build/container_templates/kernel
7  * by tools/build/make_containers.py.
8  *
9  * Copyright 2007-2014 IMP Inventors. All rights reserved.
10  */
11 
12 #ifndef IMPKERNEL_PAIR_CONTAINER_H
13 #define IMPKERNEL_PAIR_CONTAINER_H
14 
15 #include <IMP/kernel/kernel_config.h>
16 #include "internal/IndexingIterator.h"
17 #include "Particle.h"
18 #include "container_base.h"
19 #include "internal/container_helpers.h"
20 #include "DerivativeAccumulator.h"
21 #include "ParticleTuple.h"
23 #include <IMP/base/check_macros.h>
24 #include <IMP/base/Pointer.h>
25 #include <IMP/base/InputAdaptor.h>
28 #include <algorithm>
29 
30 IMPKERNEL_BEGIN_NAMESPACE
31 class PairModifier;
32 class PairScore;
33 
34 //! A shared container for Pairs
35 /** Stores a shared collection of Pairs.
36  */
37 class IMPKERNELEXPORT PairContainer : public Container {
38  public:
43  typedef PairModifier Modifier;
45 
46  //! Just use apply() in the base class
47  void apply_generic(const PairModifier *m) const;
48 
49  //! Apply a SingletonModifier to the contents
50  void apply(const PairModifier *sm) const;
51 
52  /** Get all the indexes that might possibly be contained in the
53  container, useful with dynamic containers. For example,
54  with a container::ClosePairContainer, this is the list
55  of all pairs taken from input list (those that are far apart
56  in addition to those that are close).
57  */
58  virtual kernel::ParticleIndexPairs get_range_indexes() const = 0;
59 
60  const kernel::ParticleIndexPairs &get_contents() const {
61  if (get_provides_access())
62  return get_access();
63  else {
64  std::size_t nhash = get_contents_hash();
65  if (contents_hash_ != nhash || !cache_initialized_) {
66  contents_hash_ = nhash;
67  cache_initialized_ = true;
68  contents_cache_ = get_indexes();
69  }
70  return contents_cache_;
71  }
72  }
73 
74  /** Get all the indexes contained in the container.
75 
76  This should be protected but isn't for compatibility reasons.
77 
78  External callers should use get_contents().
79  */
80  virtual kernel::ParticleIndexPairs get_indexes() const = 0;
81 
82 #ifndef IMP_DOXYGEN
83 
84  kernel::ParticlePairsTemp get() const {
85  return IMP::kernel::internal::get_particle(get_model(), get_indexes());
86  }
87 
88  kernel::ParticlePair get(unsigned int i) const {
89  return IMP::kernel::internal::get_particle(get_model(), get_indexes()[i]);
90  }
91  unsigned int get_number() const { return get_indexes().size(); }
92 #ifndef SWIG
93  bool get_provides_access() const;
94  virtual const kernel::ParticleIndexPairs &get_access() const {
95  IMP_THROW("Object not implemented properly.", base::IndexException);
96  }
97 
98  template <class Functor>
99  Functor for_each(Functor f) {
101  // use boost range instead
102  return std::for_each(vs.begin(), vs.end(), f);
103  }
104 
105 #endif
106 #endif
107 
108  /** \deprecated_at{2.1} Use get_indexes() instead.
109  */
110  kernel::ParticlePairsTemp get_particle_pairs() const;
111 
112  /** \deprecated_at{2.1} This can be very slow and is probably not useful
113  */
114  IMPKERNEL_DEPRECATED_METHOD_DECL(2.1)
115  unsigned int get_number_of_particle_pairs() const;
116 
117  /** \deprecated_at{2.1}Use get_indexes() instead and thing about using the
118  IMP_CONTAINER_FOREACH() macro.*/
119  IMPKERNEL_DEPRECATED_METHOD_DECL(2.1)
120  kernel::ParticlePair get_particle_pair(unsigned int i) const;
121 
122  protected:
124  std::string name = "PairContainer %1%");
125 
126  virtual void do_apply(const PairModifier *sm) const = 0;
127  virtual bool do_get_provides_access() const { return false; }
128 
130 
131  private:
132  mutable std::size_t contents_hash_;
133  mutable kernel::ParticleIndexPairs contents_cache_;
134  mutable bool cache_initialized_;
135 };
136 
137 /** This class allows either a list or a container to be
138  accepted as input.
139 */
140 class IMPKERNELEXPORT PairContainerAdaptor :
141 #if !defined(SWIG) && !defined(IMP_DOXYGEN)
142  public base::Pointer<PairContainer>
143 #else
144  public base::InputAdaptor
145 #endif
146  {
148 
149  public:
151 
152  /**
153  Constructs the adaptor pointing to c (so if the contents of c are changed
154  dynamically, so do the contents of the adaptor, and vice versa)
155  */
157 
158  /**
159  Constructs the adaptor pointing to c (so if the contents of c are changed
160  dynamically, so do the contents of the adaptor, and vice versa)
161  */
162  template <class C>
163  PairContainerAdaptor(base::internal::PointerBase<C> c)
164  : P(c) {}
165 
166  /**
167  Adapts the non-empty list t to PairContainer
168 
169  @param t a non-empty list of kernel::ParticlePairsTemp
170  */
172 
173  /** Set the name of the resulting container if it is currently the
174  default value. */
175  void set_name_if_default(std::string name);
176 };
177 
178 IMPKERNEL_END_NAMESPACE
179 
180 #endif /* IMPKERNEL_PAIR_CONTAINER_H */
std::size_t get_contents_hash() const
An exception for a request for an invalid member of a container.
Definition: exception.h:147
IMP::kernel::PairModifier PairModifier
Class for adding derivatives from restraints to the model.
Control display of deprecation information.
ParticleIndexes get_indexes(const ParticlesTemp &ps)
Various general useful macros for IMP.
Abstract base class for containers of particles.
PairContainerAdaptor(base::internal::PointerBase< C > c)
IMP::kernel::PairScore PairScore
A shared container for Pairs.
A smart pointer to a reference counted object.
Definition: Pointer.h:87
A class to store an fixed array of same-typed values.
Definition: Array.h:33
Basic types used by IMP.
Abstract class for containers of particles.
Various general useful macros for IMP.
Classes to handle individual model particles. (Note that implementation of inline functions in in int...
Classes to handle individual model particles.
#define IMP_THROW(message, exception_name)
Throw an exception with a message.
Definition: check_macros.h:50
A nullptr-initialized pointer to an IMP Object.
Exception definitions and assertions.
IMP::kernel::PairContainer PairContainer
#define IMP_REF_COUNTED_NONTRIVIAL_DESTRUCTOR(Name)
A base class for modifiers of kernel::ParticlePairsTemp.
Class for storing model, its restraints, constraints, and particles.
Definition: kernel/Model.h:73