IMP  2.2.1
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 2007-2014 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/kernel/Restraint.h>
14 #include <IMP/kernel/Particle.h>
16 #include <IMP/generic.h>
17 
18 IMPISD_BEGIN_NAMESPACE
19 
20 //! Apply an ambiguous restraint by computing the d-norm.
21 // d is an integer.
22 // If d>0, behaves like an "and" function.
23 // If d<0, behaves like an "or" function.
24 // Limits are fuzzy "and" (min) and fuzzy "or" (max) when d is infinite.
25 /*
26  The source code is as follows:
27  \include AmbiguousRestraint.h
28  \include AmbiguousRestraint.cpp
29 */
30 class IMPISDEXPORT AmbiguousRestraint : public kernel::Restraint {
31  int d_;
33 
34  public:
35  //! Create the restraint.
36  /** kernel::Restraints should store the particles they are to act on,
37  preferably in a Singleton or PairContainer as appropriate.
38  Two ways to call it: pass it two restraints, or a list of restraints.
39  */
41  kernel::Restraint *r1);
43 
44  double get_probability() const { return exp(-unprotected_evaluate(nullptr)); }
45 
46  /** This macro declares the basic needed methods: evaluate and show
47  */
48  virtual double unprotected_evaluate(IMP::kernel::DerivativeAccumulator *accum)
49  const IMP_OVERRIDE;
50  virtual IMP::kernel::ModelObjectsTemp do_get_inputs() const IMP_OVERRIDE;
52 };
53 
54 IMPISD_END_NAMESPACE
55 
56 #endif /* IMPISD_AMBIGUOUS_RESTRAINT_H */
Class for adding derivatives from restraints to the model.
Apply an ambiguous restraint by computing the d-norm.
Abstract base class for all restraints.
A restraint is a term in an IMP ScoringFunction.
#define IMP_OBJECT_METHODS(Name)
Define the basic things needed by any Object.
Classes to handle individual model particles.
Classes to handle individual model particles.
virtual ModelObjectsTemp do_get_inputs() const =0
Class for storing model, its restraints, constraints, and particles.
Definition: kernel/Model.h:72
Import IMP/kernel/generic.h in the namespace.