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//                   OpenMS -- Open-Source Mass Spectrometry
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// Copyright The OpenMS Team -- Eberhard Karls University Tuebingen,
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// $Maintainer: Timo Sachsenberg $
// $Authors: David Wojnar $
// --------------------------------------------------------------------------

#ifndef OPENMS_COMPARISON_SPECTRA_SPECTRASTSIMILARITYSCORE_H
#define OPENMS_COMPARISON_SPECTRA_SPECTRASTSIMILARITYSCORE_H

#include <OpenMS/COMPARISON/SPECTRA/PeakSpectrumCompareFunctor.h>
#include <OpenMS/COMPARISON/SPECTRA/BinnedSpectrum.h>

namespace OpenMS
{

  /**
      @brief Similarity score of SpectraST.

      Unlike the other similarity scores this score is used for matching a
      spectrum against a whole library, although the dot product seems to be an
      effective method for scoring on its own. For calculating the SpectraST
      score, first preprocess the spectra if not already done. Transform them
      and calculate the dot product and the dot bias.  Afterwards get the best
      two hits and calculate delta_D. Now for every spectrum from the library
      you can calculate the final score.

      The details of the score can be found in:
      H. Lam et al., Development and validation of a spectral library searching
      method for peptide identification from MS/MS,
      Proteomics, 7 , 655-667, 2007

      @ingroup SpectraComparison
  */

  class OPENMS_DLLAPI SpectraSTSimilarityScore :
    public PeakSpectrumCompareFunctor
  {
public:

    // @name Constructors and Destructors
    // @{
    /// default constructor
    SpectraSTSimilarityScore();

    /// copy constructor
    SpectraSTSimilarityScore(const SpectraSTSimilarityScore & source);

    /// destructor
    virtual ~SpectraSTSimilarityScore();
    // @}

    /// assignment operator
    SpectraSTSimilarityScore & operator=(const SpectraSTSimilarityScore & source);

    /**
        @brief: calculates the dot product of the two spectra
    */
    double operator()(const PeakSpectrum & spec1, const PeakSpectrum & spec2) const;
    /**
        @brief: calculates the dot product of the two spectra
    */
    double operator()(const BinnedSpectrum & bin1, const BinnedSpectrum & bin2)   const;
    /**
        @brief: calculates the dot product of itself
    */
    double operator()(const PeakSpectrum & spec) const;

    /**
        @brief Preprocesses the spectrum

        The preprocessing removes peak below a intensity threshold, reject spectra that does
        not have enough peaks, and cuts peaks exceeding the max_peak_number most intense peaks.

        @return true if spectrum passes filtering
    */
    bool preprocess(PeakSpectrum & spec, float remove_peak_intensity_threshold = 2.01, UInt cut_peaks_below = 1000, Size min_peak_number = 5, Size max_peak_number = 150);


    ///spectrum is transformed into a binned spectrum with bin size 1 and spread 1 and the intensities are normalized.
    BinnedSpectrum transform(const PeakSpectrum & spec);

    /**
        @brief Calculates how much of the dot product is dominated by a few peaks

        @param dot_product if -1 this value will be calculated as well.
        @param bin1 first spectrum in binned representation
        @param bin2 second spectrum in binned representation
    */
    double dot_bias(const BinnedSpectrum & bin1, const BinnedSpectrum & bin2, double dot_product = -1) const;

    /**
        @brief calculates the normalized distance between top_hit and runner_up.
        @param top_hit is the best score for a given match.
        @param runner_up a match with a worse score than top_hit, e.g. the second best score.

        @return normalized distance
        @throw DividedByZero exception if top_hit is 0.

        @note Range of the dot products is between 0 and 1.
    */
    double delta_D(double top_hit, double runner_up);

    /**
        @brief: computes the overall all score
        @param dot_product of a match
        @param delta_D should be calculated after all dot products for a unidentified spectrum are computed
        @param dot_bias

        @return the SpectraST similarity score
    */
    double compute_F(double dot_product, double delta_D, double dot_bias);



    ///
    static PeakSpectrumCompareFunctor * create() { return new SpectraSTSimilarityScore(); }

    ///Reimplemented from PeakSpectrumCompareFunctor.
    static const String getProductName()
    {
      return "SpectraSTSimilarityScore";
    }

protected:


  };

}
#endif //OPENMS_COMPARISON_SPECTRA_SPECTRASTSIMILARTIYSCORE_H
