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IMP Reference Guide  2.20.0
The Integrative Modeling Platform
AmbiguousRestraint.h
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1 /**
2  * \file IMP/isd/AmbiguousRestraint.h
3  * \brief An implementation of the d-norm to make an ambiguous restraint.
4  *
5  * Copyright 2007-2022 IMP Inventors. All rights reserved.
6  *
7  */
8 
9 #ifndef IMPISD_AMBIGUOUS_RESTRAINT_H
10 #define IMPISD_AMBIGUOUS_RESTRAINT_H
11 
12 #include <IMP/isd/isd_config.h>
13 #include <IMP/Restraint.h>
14 #include <IMP/Particle.h>
15 #include <IMP/generic.h>
16 
17 IMPISD_BEGIN_NAMESPACE
18 
19 //! Apply an ambiguous restraint by computing the d-norm.
20 // d is an integer.
21 // If d>0, behaves like an "and" function.
22 // If d<0, behaves like an "or" function.
23 // Limits are fuzzy "and" (min) and fuzzy "or" (max) when d is infinite.
24 /*
25  The source code is as follows:
26  \include AmbiguousRestraint.h
27  \include AmbiguousRestraint.cpp
28 */
29 class IMPISDEXPORT AmbiguousRestraint : public Restraint {
30  int d_;
31  Restraints rs_;
32 
33  friend class cereal::access;
34 
35  template<class Archive> void serialize(Archive &ar) {
36  ar(cereal::base_class<Restraint>(this), d_, rs_);
37  }
38 
40 
41  public:
42  //! Create the restraint.
43  /** Two ways to call it: pass it two restraints, or a list of restraints.
44  */
45  AmbiguousRestraint(Model *m, int d, Restraint *r0,
46  Restraint *r1);
47  AmbiguousRestraint(Model *m, int d, Restraints rs);
49 
50  double get_probability() const { return exp(-unprotected_evaluate(nullptr)); }
51 
53  const override;
54  virtual IMP::ModelObjectsTemp do_get_inputs() const override;
56 };
57 
58 IMPISD_END_NAMESPACE
59 
60 #endif /* IMPISD_AMBIGUOUS_RESTRAINT_H */
Apply an ambiguous restraint by computing the d-norm.
#define IMP_OBJECT_METHODS(Name)
Define the basic things needed by any Object.
Definition: object_macros.h:25
virtual double unprotected_evaluate(DerivativeAccumulator *da) const
Return the unweighted score for the restraint.
Class for storing model, its restraints, constraints, and particles.
Definition: Model.h:86
#define IMP_OBJECT_SERIALIZE_DECL(Name)
Declare methods needed for serialization of Object pointers.
Definition: object_macros.h:95
Classes to handle individual model particles. (Note that implementation of inline functions is in int...
Abstract base class for all restraints.
virtual ModelObjectsTemp do_get_inputs() const =0
Class for adding derivatives from restraints to the model.
A restraint is a term in an IMP ScoringFunction.
Definition: Restraint.h:56
Compile-time generic restraint and constraint support.