IMP logo
IMP Reference Guide  2.16.0
The Integrative Modeling Platform
version 2.16.0
RestraintsScoringFunction.h
Go to the documentation of this file.
1 /**
2  * \file IMP/core/RestraintsScoringFunction.h
3  * \brief A scoring function on a list of restraints
4  *
5  * Copyright 2007-2021 IMP Inventors. All rights reserved.
6  *
7  */
8 
9 #ifndef IMPCORE_RESTRAINTS_SCORING_FUNCTION_H
10 #define IMPCORE_RESTRAINTS_SCORING_FUNCTION_H
11 
12 #include <IMP/core/core_config.h>
13 #include <IMP/ScoringFunction.h>
14 #include <IMP/Restraint.h>
15 #include <IMP/internal/RestraintsScoringFunction.h>
16 
17 IMPCORE_BEGIN_NAMESPACE
18 
19 //! Create a scoring function on a list of restraints.
20 class RestraintsScoringFunction :
21 #if defined(IMP_DOXYGEN) || defined(SWIG)
22  public ScoringFunction
23 #else
24  public IMP::internal::RestraintsScoringFunction
25 #endif
26  {
27  public:
28  RestraintsScoringFunction(const RestraintsAdaptor &rs,
29  double weight = 1.0, double max = NO_MAX,
30  std::string name = "RestraintsScoringFunction%1%")
31  : IMP::internal::RestraintsScoringFunction(rs, weight, max, name) {}
32  RestraintsScoringFunction(const RestraintsAdaptor &rs,
33  std::string name)
34  : IMP::internal::RestraintsScoringFunction(rs, 1.0, NO_MAX, name) {}
35 #if defined(SWIG)
36  void do_add_score_and_derivatives(
37  ScoreAccumulator sa, const ScoreStatesTemp &ss) IMP_OVERRIDE;
38 
39  void do_add_score_and_derivatives_moved(
40  ScoreAccumulator sa, const ParticleIndexes &moved_pis,
41  const ParticleIndexes &reset_pis,
42  const ScoreStatesTemp &ss) IMP_OVERRIDE;
43 
44  virtual Restraints create_restraints() const IMP_OVERRIDE;
45  virtual ModelObjectsTemp do_get_inputs() const IMP_OVERRIDE;
46  IMP_OBJECT_METHODS(RestraintsScoringFunction);
47 #endif
48 };
49 
50 IMPCORE_END_NAMESPACE
51 
52 #endif /* IMPCORE_RESTRAINTS_SCORING_FUNCTION_H */
IMP::NO_MAX
const double NO_MAX
Use this value when you want to turn off maximum for restraint evaluation.
IMP_OBJECT_METHODS
#define IMP_OBJECT_METHODS(Name)
Define the basic things needed by any Object.
Definition: object_macros.h:25
IMP::core::RestraintsScoringFunction
Create a scoring function on a list of restraints.
Definition: RestraintsScoringFunction.h:20
IMP::Vector
A more IMP-like version of the std::vector.
Definition: Vector.h:40
IMP::RestraintsAdaptor
Provide a consistent interface for things that take Restraints as arguments.
Definition: Restraint.h:338
IMP::ScoreAccumulator
Class for adding up scores during ScoringFunction evaluation.
Definition: ScoreAccumulator.h:46
IMP::ScoringFunction
Represents a scoring function on the model.
Definition: ScoringFunction.h:41
ScoringFunction.h
Represents a scoring function on the model.
IMP::rmf::create_restraints
Restraints create_restraints(RMF::FileConstHandle fh, Model *m)
Restraint.h
Abstract base class for all restraints.
IMP_OVERRIDE
#define IMP_OVERRIDE
Cause a compile error if this method does not override a parent method.
Definition: compiler_macros.h:78