peptidefragmentionlistbase.h

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/**
 * \file pappsomspp/peptide/peptidefragmentionlistbase.h
 * \date 10/3/2015
 * \author Olivier Langella
 * \brief fragmentation base object
 */
 
/*******************************************************************************
 * Copyright (c) 2015 Olivier Langella <Olivier.Langella@moulon.inra.fr>.
 *
 * This file is part of the PAPPSOms++ library.
 *
 *     PAPPSOms++ is free software: you can redistribute it and/or modify
 *     it under the terms of the GNU General Public License as published by
 *     the Free Software Foundation, either version 3 of the License, or
 *     (at your option) any later version.
 *
 *     PAPPSOms++ is distributed in the hope that it will be useful,
 *     but WITHOUT ANY WARRANTY; without even the implied warranty of
 *     MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
 *     GNU General Public License for more details.
 *
 *     You should have received a copy of the GNU General Public License
 *     along with PAPPSOms++.  If not, see <http://www.gnu.org/licenses/>.
 *
 * Contributors:
 *     Olivier Langella <Olivier.Langella@moulon.inra.fr> - initial API and
 *implementation
 ******************************************************************************/
 
#pragma once
 
#include <list>
 
#include "peptidefragmention.h"
#include "../exportinmportconfig.h"
 
namespace pappso
{
 
class PeptideFragmentIonListBase;
typedef std::shared_ptr<const PeptideFragmentIonListBase> PeptideFragmentIonListBaseSp;
 
class PMSPP_LIB_DECL PeptideFragmentIonListBase
{
  using IonList = std::list<PeptideIon>;
 
 
  public:
  PeptideFragmentIonListBase(const PeptideSp &peptide, const IonList &ions);
  PeptideFragmentIonListBase(const PeptideFragmentIonListBase &other);
  virtual ~PeptideFragmentIonListBase();
  PeptideFragmentIonListBaseSp makePeptideFragmentIonListBaseSp() const;
 
  const std::list<PeptideIon> &getIonList() const;
  unsigned int getPhosphorylationNumber() const;
 
  virtual const PeptideSp &getPeptideSp() const;
 
  const std::list<PeptideFragmentIonSp> getPeptideFragmentIonSp(PeptideIon ion_type) const;
  const PeptideFragmentIonSp &getPeptideFragmentIonSp(PeptideIon ion_type, unsigned int size) const;
  const PeptideFragmentIonSp &getPeptideFragmentIonSp(
    PeptideIon ion_type, unsigned int size, unsigned int number_of_neutral_phospho_loss) const;
 
 
  std::list<PeptideFragmentIonSp>::const_iterator begin() const;
 
  std::list<PeptideFragmentIonSp>::const_iterator end() const;
 
 
  const std::list<PeptideFragmentIonSp> &getPeptideFragmentIonList() const;
 
  static std::list<PeptideIon> getCIDionList();
  static std::list<PeptideIon> getETDionList();
 
 
  std::size_t size() const;
 
 
  protected:
  const PeptideSp msp_peptide;
  std::list<PeptideFragmentIonSp> msp_peptide_fragment_ion_list;
  IonList m_ionList;
  unsigned int m_phosphorylationNumber;
 
  static const std::list<PeptideFragmentSp> getPeptideFragmentList(const PeptideSp &peptide);
};
 
 
} // namespace pappso