xic.h

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/*******************************************************************************
 * * Copyright (c) 2015 Olivier Langella <Olivier.Langella@moulon.inra.fr>.
 * *
 * * This file is part of MassChroqPRM.
 * *
 * *     MassChroqPRM 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.
 * *
 * *     MassChroqPRM 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 MassChroqPRM.  If not, see <http://www.gnu.org/licenses/>.
 * *
 * * Contributors:
 * *     Olivier Langella <Olivier.Langella@moulon.inra.fr> - initial API and
 * implementation
 * ******************************************************************************/
 
#pragma once
 
#include <vector>
#include <memory>
#include "../trace/trace.h"
#include "pappsomspp/core/mzrange.h"
 
namespace pappso
{
 
 
class XicPeak;
 
class Xic;
typedef std::shared_ptr<const Xic> XicCstSPtr;
typedef std::shared_ptr<Xic> XicSPtr;
 
class MsRunXic;
 
class PMSPP_LIB_DECL Xic : public Trace
{
  public:
  Xic();
  Xic(const Trace &other);
  virtual ~Xic();
 
  using Trace::operator=;
 
 
  XicCstSPtr makeXicCstSPtr() const;
 
  XicSPtr makeXicSPtr() const;
 
  /** \brief get the number of MS measurement between 2 retention times on this
   * xic */
  unsigned int getMsPointDistance(pappso_double rt,
                                  pappso_double rt_other) const;
 
  void debugPrintValues() const;
 
 
  /** @brief sort peaks by retention time
   */
  void sortByRetentionTime();
 
  /** @brief get the DataPoint at the given retention time */
  const DataPoint &atRetentionTime(pappso_double rt) const;
};
 
 
} // namespace pappso