IMP  2.2.1
The Integrative Modeling Platform
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 2007-2014 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>
15 #include <IMP/kernel/Restraint.h>
16 #include <IMP/kernel/internal/RestraintsScoringFunction.h>
17 
18 IMPCORE_BEGIN_NAMESPACE
19 
20 /** Create a scoring function on a list of restraints.
21 */
23 #if defined(IMP_DOXYGEN) || defined(SWIG)
25 #else
26  public IMP::kernel::internal::RestraintsScoringFunction
27 #endif
28  {
29  public:
31  double weight = 1.0, double max = kernel::NO_MAX,
32  std::string name = "RestraintsScoringFunction%1%")
33  : kernel::internal::RestraintsScoringFunction(rs, weight, max, name) {}
35  std::string name)
36  : kernel::internal::RestraintsScoringFunction(rs, 1.0, kernel::NO_MAX,
37  name) {}
38 #if defined(SWIG)
39  void do_add_score_and_derivatives(kernel::ScoreAccumulator sa,
40  const kernel::ScoreStatesTemp &ss)
41  IMP_OVERRIDE;
42  virtual kernel::Restraints create_restraints() const IMP_OVERRIDE;
43  virtual kernel::ModelObjectsTemp do_get_inputs() const IMP_OVERRIDE;
45 #endif
46 };
47 
48 IMPCORE_END_NAMESPACE
49 
50 #endif /* IMPCORE_RESTRAINTS_SCORING_FUNCTION_H */
const double NO_MAX
Use this value when you want to turn off maximum for restraint evaluation.
kernel::Restraints create_restraints(RMF::FileConstHandle fh, kernel::Model *m)
Abstract base class for all restraints.
Storage of a model, its restraints, constraints and particles.
Class for adding up scores during ScoringFunction evaluation.
#define IMP_OBJECT_METHODS(Name)
Define the basic things needed by any Object.