IMP  2.3.1
The Integrative Modeling Platform
MinimumPairRestraint.h
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1 /**
2  * \file IMP/container/MinimumPairRestraint.h
3  * \brief Score based on the minimum score over a set of Pairs
4  *
5  * WARNING This file was generated from MinimumPairRestraint.h
6  * in /tmp/nightly-build-29065/imp-2.3.1/tools/build/container_templates/container
7  * by tools/build/make_containers.py.
8  *
9  * Copyright 2007-2014 IMP Inventors. All rights reserved.
10  */
11 
12 #ifndef IMPCONTAINER_MINIMUM_PAIR_RESTRAINT_H
13 #define IMPCONTAINER_MINIMUM_PAIR_RESTRAINT_H
14 
15 #include <IMP/container/container_config.h>
16 #include <IMP/Restraint.h>
17 #include <IMP/PairScore.h>
18 #include <IMP/PairContainer.h>
19 
20 IMPCONTAINER_BEGIN_NAMESPACE
21 
22 //! Score based on the min or max PairScore over a set
23 /** The score is evaluated for each of the VALUETYPE in the container
24  and the value of the min or max n scores is used. That is,
25  if n is 1, the value of the restraint is the value of the min or max
26  score over the container.
27  */
28 class IMPCONTAINEREXPORT MinimumPairRestraint : public Restraint {
29  IMP::base::PointerMember<PairScore> f_;
30  IMP::base::PointerMember<PairContainer> c_;
31  unsigned int n_;
32 
33  public:
34  /** n is the number of LCMinimum scores to use.
35  */
36  MinimumPairRestraint(PairScore *f, PairContainerAdaptor c,
37  unsigned int n = 1,
38  std::string name = "MinimumPairRestraint %1%");
39 
40  public:
41  double unprotected_evaluate(IMP::DerivativeAccumulator *accum) const
42  IMP_OVERRIDE;
43  IMP::kernel::ModelObjectsTemp do_get_inputs() const IMP_OVERRIDE;
44  IMP_OBJECT_METHODS(MinimumPairRestraint);
45  ;
46 
47  //! Set the number of lowest scores to use.
48  void set_n(unsigned int n) { n_ = n; }
49 #ifndef IMP_DOXYGEN
50  Restraints do_create_current_decomposition() const IMP_OVERRIDE;
51  double unprotected_evaluate_if_good(DerivativeAccumulator *da,
52  double max) const IMP_OVERRIDE;
53 #endif
54 };
55 
56 IMPCONTAINER_END_NAMESPACE
57 
58 #endif /* IMPCONTAINER_MINIMUM_PAIR_RESTRAINT_H */
IMP::kernel::DerivativeAccumulator
Class for adding derivatives from restraints to the model.
Definition: kernel/DerivativeAccumulator.h:25
IMP::container::MinimumPairRestraint
Score based on the min or max PairScore over a set.
Definition: MinimumPairRestraint.h:28
IMP_OBJECT_METHODS
#define IMP_OBJECT_METHODS(Name)
Define the basic things needed by any Object.
Definition: object_macros.h:25
IMP::kernel::Restraints
IMP::base::Vector< IMP::base::Pointer< Restraint > > Restraints
Definition: kernel/base_types.h:79
IMP::kernel::PairScore
Abstract class for scoring object(s) of type ParticlePair.
Definition: kernel/PairScore.h:38
PairContainer.h
Import IMP/kernel/PairContainer.h in the namespace.
PairScore.h
Import IMP/kernel/PairScore.h in the namespace.
IMP::kernel::Restraint
A restraint is a term in an IMP ScoringFunction.
Definition: kernel/Restraint.h:52
IMP::container::MinimumPairRestraint::set_n
void set_n(unsigned int n)
Set the number of lowest scores to use.
Definition: MinimumPairRestraint.h:48
IMP::kernel::Restraint::do_create_current_decomposition
virtual Restraints do_create_current_decomposition() const
Definition: kernel/Restraint.h:213
IMP::kernel::ModelObject::do_get_inputs
virtual ModelObjectsTemp do_get_inputs() const =0
Restraint.h
Import IMP/kernel/Restraint.h in the namespace.
IMP_OVERRIDE
#define IMP_OVERRIDE
Cause a compile error if this method does not override a parent method.
Definition: compiler_macros.h:75