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IMP Reference Guide  2.8.0
The Integrative Modeling Platform
Edit on GitHub version 2.8.0
RestraintsScoringFunction.h
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1 /**
2  * \file IMP/core/RestraintsScoringFunction.h
3  * \brief Storage of a model, its restraints,
4  * constraints and particles.
5  *
6  * Copyright 2007-2017 IMP Inventors. All rights reserved.
7  *
8  */
9 
10 #ifndef IMPCORE_RESTRAINTS_SCORING_FUNCTION_H
11 #define IMPCORE_RESTRAINTS_SCORING_FUNCTION_H
12 
13 #include <IMP/core/core_config.h>
14 #include <IMP/ScoringFunction.h>
15 #include <IMP/Restraint.h>
16 #include <IMP/internal/RestraintsScoringFunction.h>
17 
18 IMPCORE_BEGIN_NAMESPACE
19 
20 /** Create a scoring function on a list of restraints.
21 */
22 class RestraintsScoringFunction :
23 #if defined(IMP_DOXYGEN) || defined(SWIG)
24  public ScoringFunction
25 #else
26  public IMP::internal::RestraintsScoringFunction
27 #endif
28  {
29  public:
30  RestraintsScoringFunction(const RestraintsAdaptor &rs,
31  double weight = 1.0, double max = NO_MAX,
32  std::string name = "RestraintsScoringFunction%1%")
33  : IMP::internal::RestraintsScoringFunction(rs, weight, max, name) {}
34  RestraintsScoringFunction(const RestraintsAdaptor &rs,
35  std::string name)
36  : IMP::internal::RestraintsScoringFunction(rs, 1.0, NO_MAX, name) {}
37 #if defined(SWIG)
38  void do_add_score_and_derivatives(ScoreAccumulator sa,
39  const ScoreStatesTemp &ss)
40  IMP_OVERRIDE;
41  virtual Restraints create_restraints() const IMP_OVERRIDE;
42  virtual ModelObjectsTemp do_get_inputs() const IMP_OVERRIDE;
43  IMP_OBJECT_METHODS(RestraintsScoringFunction);
44 #endif
45 };
46 
47 IMPCORE_END_NAMESPACE
48 
49 #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::Vector
A more IMP-like version of the std::vector.
Definition: Vector.h:39
IMP::RestraintsAdaptor
Provide a consistent interface for things that take Restraints as arguments.
Definition: Restraint.h:230
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:40
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:80