// --------------------------------------------------------------------------
//                   OpenMS -- Open-Source Mass Spectrometry
// --------------------------------------------------------------------------
// Copyright The OpenMS Team -- Eberhard Karls University Tuebingen,
// ETH Zurich, and Freie Universitaet Berlin 2002-2023.
//
// This software is released under a three-clause BSD license:
//  * Redistributions of source code must retain the above copyright
//    notice, this list of conditions and the following disclaimer.
//  * Redistributions in binary form must reproduce the above copyright
//    notice, this list of conditions and the following disclaimer in the
//    documentation and/or other materials provided with the distribution.
//  * Neither the name of any author or any participating institution
//    may be used to endorse or promote products derived from this software
//    without specific prior written permission.
// For a full list of authors, refer to the file AUTHORS.
// --------------------------------------------------------------------------
// THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS"
// AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE
// ARE DISCLAIMED. IN NO EVENT SHALL ANY OF THE AUTHORS OR THE CONTRIBUTING
// INSTITUTIONS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS;
// OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY,
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//
// --------------------------------------------------------------------------
// $Maintainer: Timo Sachsenberg $
// $Authors: Sandro Andreotti $
// --------------------------------------------------------------------------


#pragma once

#include <OpenMS/KERNEL/StandardDeclarations.h>
#include <OpenMS/KERNEL/StandardTypes.h>
#include <OpenMS/KERNEL/MSSpectrum.h>
#include <OpenMS/KERNEL/MSExperiment.h>

#include <OpenMS/KERNEL/StandardTypes.h>
#include <OpenMS/CHEMISTRY/SvmTheoreticalSpectrumGenerator.h>

namespace OpenMS
{
  /**
   @brief Loads SvmTheoreticalSpectrumGenerator instances for different charges

   The input file contains pairs of charge and svm models separated by a ":"
   (see share/OpenMS/SIMULATION/SvmModelSet.model)

   <p>
   Actually only a test model is shipped with OpenMS.<br>
   Please find trained models at: http://sourceforge.net/projects/open-ms/files/Supplementary/Simulation/.
   </p>

   @ingroup Chemistry
   */
  class OPENMS_DLLAPI SvmTheoreticalSpectrumGeneratorSet
  {
public:

    /** @name Constructors and Destructors
     */
    //@{
    /// Default constructor
    SvmTheoreticalSpectrumGeneratorSet();

    /// Copy constructor
    SvmTheoreticalSpectrumGeneratorSet(const SvmTheoreticalSpectrumGeneratorSet & source);

    /// Destructor
    virtual ~SvmTheoreticalSpectrumGeneratorSet();
    //@}

    /// Assignment operator
    SvmTheoreticalSpectrumGeneratorSet & operator=(const SvmTheoreticalSpectrumGeneratorSet & tsg);

    /// Generate the MS/MS according to the model for the given precursor_charge
    void simulate(PeakSpectrum & spectrum, const AASequence & peptide, boost::random::mt19937_64& rng, Size precursor_charge);

    ///Load a trained Svm and Prob. models
    void load(String);

    ///Return precursor charges for which a model is contained in the set
    void getSupportedCharges(std::set<Size> & charges);

    ///return a modifiable reference to the SVM model with given charge. If charge is not supported throw exception
    SvmTheoreticalSpectrumGenerator & getSvmModel(Size);

protected:
    //map containing the simulator for each charge variant
    std::map<Size, SvmTheoreticalSpectrumGenerator> simulators_;

  };


}



