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IMP Reference Guide  develop.d97d4ead1f,2024/11/21
The Integrative Modeling Platform
vonMisesKappaConjugateRestraint.h
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1 /**
2  * \file IMP/isd/vonMisesKappaConjugateRestraint.h
3  * \brief Conjugate prior for \f$\kappa\f$ in the von Mises distribution.
4  *
5  * Copyright 2007-2022 IMP Inventors. All rights reserved.
6  *
7  */
8 
9 #ifndef IMPISD_VON_MISES_KAPPA_CONJUGATE_RESTRAINT_H
10 #define IMPISD_VON_MISES_KAPPA_CONJUGATE_RESTRAINT_H
11 
12 #include <IMP/isd/isd_config.h>
13 #include <IMP/SingletonScore.h>
14 #include <IMP/Restraint.h>
15 
16 IMPISD_BEGIN_NAMESPACE
17 
18 //! Conjugate prior for the concentration parameter of a von Mises distribution.
19 /** \f[ p(\kappa|c,R_0) = \frac{\exp(\kappa R_0)}{I_0(\kappa)^c} \f]
20  \f$0 < R_0 \le c\f$
21  where \f$\kappa\f$ is the concentration parameter.
22  */
23 class IMPISDEXPORT vonMisesKappaConjugateRestraint : public Restraint {
24  Pointer<Particle> kappa_;
25  double old_kappaval;
26  bool bessel_init_;
27  double I0_, I1_;
28  double c_, R0_;
29 
30  public:
31  //! Create the restraint.
33  double c = 10.0, double R0 = 0.0);
34 
36  const override;
37  virtual IMP::ModelObjectsTemp do_get_inputs() const override;
39 
40  virtual double get_probability() const;
41 
42  private:
43  void update_bessel(double kappaval); // update memoized bessel value
44  double get_kappa() const;
45 };
46 
47 IMPISD_END_NAMESPACE
48 
49 #endif /* IMPISD_VON_MISES_KAPPA_CONJUGATE_RESTRAINT_H */
#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.
A more IMP-like version of the std::vector.
Definition: Vector.h:50
A smart pointer to a reference counted object.
Definition: Pointer.h:87
Class for storing model, its restraints, constraints, and particles.
Definition: Model.h:86
Conjugate prior for the concentration parameter of a von Mises distribution.
Define SingletonScore.
Class to handle individual particles of a Model object.
Definition: Particle.h:43
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