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IMP Reference Guide  2.20.2
The Integrative Modeling Platform
vonMisesKappaJeffreysRestraint.h
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1 /**
2  * \file IMP/isd/vonMisesKappaJeffreysRestraint.h
3  * \brief Jeffreys 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_JEFFREYS_RESTRAINT_H
10 #define IMPISD_VON_MISES_KAPPA_JEFFREYS_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 //! Jeffreys prior for the \f$\kappa\f$ concentration parameter of a von Mises distribution.
19 /** \f[p(\kappa) = \sqrt{\frac{I_1(\kappa)}{I_0(\kappa)}
20  * \left[
21  * \kappa
22  * -\frac{I_1(\kappa)}{I_0(\kappa)}
23  * -\kappa\left(\frac{I_1(\kappa)}{I_0(\kappa)}\right)^2
24  * \right]}\f]
25 */
26 
27 class IMPISDEXPORT vonMisesKappaJeffreysRestraint : public Restraint {
28  Pointer<Particle> kappa_;
29  double old_kappaval;
30  double I0_, I1_;
31 
32  public:
33  //! Create the restraint.
35 
37  const override;
38  virtual IMP::ModelObjectsTemp do_get_inputs() const override;
40 
41  virtual double get_probability() const;
42 
43  private:
44  void update_bessel(double kappaval); // update memoized bessel values
45 };
46 
47 IMPISD_END_NAMESPACE
48 
49 #endif /* IMPISD_VON_MISES_KAPPA_JEFFREYS_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:42
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
Jeffreys 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