IMP  2.4.0
The Integrative Modeling Platform
PairsConstraint.h
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1 /**
2  * \file IMP/container/PairsConstraint.h
3  * \brief Use a PairModifier applied to a kernel::ParticlePairsTemp to
4  * maintain an invariant
5  *
6  * WARNING This file was generated from PairsConstraint.h
7  * in /tmp/nightly-build-65532/imp-2.4.0/tools/build/container_templates/container
8  * by tools/build/make_containers.py.
9  *
10  * Copyright 2007-2015 IMP Inventors. All rights reserved.
11  */
12 
13 #ifndef IMPCONTAINER_PAIRS_CONSTRAINT_H
14 #define IMPCONTAINER_PAIRS_CONSTRAINT_H
15 
16 #include <IMP/container/container_config.h>
17 #include <IMP/PairContainer.h>
18 #include <IMP/PairModifier.h>
19 #include <IMP/Constraint.h>
20 #include <IMP/base/object_macros.h>
21 #include <IMP/kernel/internal/ContainerConstraint.h>
22 
23 IMPKERNEL_BEGIN_NAMESPACE
24 // for swig
25 class PairContainer;
26 class PairModifier;
27 IMPKERNEL_END_NAMESPACE
28 
29 IMPCONTAINER_BEGIN_NAMESPACE
30 //! Apply a PairFunction to a PairContainer to maintain an invariant
31 /** The score state is passed up to two PairModifiers, one to
32  apply before evaluation and the other after. The one after
33  should take a DerivativeAccumulator as its last argument for
34  PairModifier::apply() and will only be called if
35  the score was computed with derivatives.
36 
37  \see core::PairConstraint
38  */
40 #if defined(SWIG) || defined(IMP_DOXYGEN)
41  public Constraint
42 #else
43  public IMP::kernel::internal::ContainerConstraint<
44  PairModifier, PairModifier, PairContainer>
45 #endif
46  {
47  typedef IMP::kernel::internal::ContainerConstraint<
49 
50  public:
51  /** \param[in] c The Container to hold the elements to process
52  \param[in] before The PairModifier to apply to all elements
53  before evaluate.
54  \param[in] after The PairModifier to apply to all elements
55  after evaluate.
56  \param[in] name The object name
57  */
59  PairContainerAdaptor c,
60  std::string name = "PairConstraint %1%")
61  : P(before, after, c, name) {}
62 #if defined(IMP_DOXYGEN) || defined(SWIG)
63  protected:
64  void do_update_attributes();
65  void do_update_derivatives(DerivativeAccumulator *da);
66  virtual kernel::ModelObjectsTemp do_get_inputs() const;
67  virtual kernel::ModelObjectsTemp do_get_outputs() const;
69 #endif
70 };
71 
73 
74 IMPCONTAINER_END_NAMESPACE
75 
76 #endif /* IMPCONTAINER_PAIRS_CONSTRAINT_H */
IMP::kernel::PairModifier PairModifier
Various general useful macros for IMP.
Class for adding derivatives from restraints to the model.
PairsConstraint(PairModifier *before, PairModifier *after, PairContainerAdaptor c, std::string name="PairConstraint %1%")
#define IMP_OBJECT_METHODS(Name)
Define the basic things needed by any Object.
Definition: object_macros.h:25
A shared container for Pairs.
Import IMP/kernel/PairContainer.h in the namespace.
Import IMP/kernel/PairModifier.h in the namespace.
Import IMP/kernel/Constraint.h in the namespace.
#define IMP_OBJECTS(Name, PluralName)
Define the types for storing sets of objects.
Definition: object_macros.h:52
IMP::kernel::PairContainer PairContainer
Implement a constraint on the Model.
Apply a PairFunction to a PairContainer to maintain an invariant.
A base class for modifiers of kernel::ParticlePairsTemp.