FretData.h

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/**
 *  \file isd/FretData.h    \brief Auxiliary class useful for FRET_R restraint
 *
 *  Copyright 2007-2013 IMP Inventors. All rights reserved.
 */

#ifndef IMPISD_FRET_DATA_H
#define IMPISD_FRET_DATA_H

#include "isd_config.h"
#include <IMP/macros.h>
#include <IMP/kernel/Model.h>
#include <IMP/constants.h>
#include <math.h>

IMPISD_BEGIN_NAMESPACE

//! Auxiliary class for FRET_R restraint
/**
 */

class IMPISDEXPORT FretData : public base::Object
{
    Floats d_term_;
    Floats d_center_;
    Floats s_grid_;
    std::vector<unsigned> nbin_;
    unsigned dimension_;
    Floats grid_;
    Floats norm_;

    unsigned get_index(unsigned indices[3]) const;
    void init_grids
    (const Floats& d_grid_int, Float R0, Float Rmin, Float Rmax, bool do_limit);

 public:

  FretData(Floats d_term, Floats d_center, Floats d_int,
           Floats s_grid, Float R0, Float Rmin, Float Rmax, bool do_limit=true);

  int get_closest(std::vector<double> const& vec, double value) const;

  Float get_probability(Float distn, Float dist, Float sigma) const;

  Float get_kernel(Float dist, Float R0) const;

  FloatPair get_marginal_element
                              (Float d_term, Float d_center, Float sigma) const;

  IMP_OBJECT_METHODS(FretData);

};

IMPISD_END_NAMESPACE

#endif  /* IMPISD_FRET_DATA_H */