ChromatogramPeak.h

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// --------------------------------------------------------------------------
//                   OpenMS -- Open-Source Mass Spectrometry
// --------------------------------------------------------------------------
// Copyright The OpenMS Team -- Eberhard Karls University Tuebingen,
// ETH Zurich, and Freie Universitaet Berlin 2002-2023.
//
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// $Maintainer: Timo Sachsenberg $
// $Authors: Andreas Bertsch $
// --------------------------------------------------------------------------
 
#pragma once
 
#include <OpenMS/CONCEPT/Types.h>
#include <OpenMS/DATASTRUCTURES/DPosition.h>
 
#include <iosfwd>
#include <functional>
 
namespace OpenMS
{
 
  class OPENMS_DLLAPI ChromatogramPeak
  {
public:
    enum {DIMENSION = 1};
    typedef double IntensityType;
    typedef DPosition<1> PositionType;
    typedef double CoordinateType;
 
    inline ChromatogramPeak() :
      position_(),
      intensity_(0)
    {}
 
    inline ChromatogramPeak(const ChromatogramPeak & p) :
      position_(p.position_),
      intensity_(p.intensity_)
    {}
 
    inline ChromatogramPeak(const PositionType retention_time, const IntensityType intensity) :
      position_(retention_time),
      intensity_(intensity)
    {}
 
    ~ChromatogramPeak()
    {}
 
 
    inline IntensityType getIntensity() const { return intensity_; }
    inline void setIntensity(IntensityType intensity) { intensity_ = intensity; }
 
    inline CoordinateType getRT() const
    {
      return position_[0];
    }
 
    inline void setRT(CoordinateType rt)
    {
      position_[0] = rt;
    }
 
    inline CoordinateType getPos() const
    {
      return position_[0];
    }
 
    inline void setPos(CoordinateType pos)
    {
      position_[0] = pos;
    }
 
    inline CoordinateType getMZ() const
    {
      return position_[0];
    }
 
    inline void setMZ(CoordinateType rt)
    {
      position_[0] = rt;
    }
 
    inline PositionType const & getPosition() const
    {
      return position_;
    }
 
    inline PositionType & getPosition()
    {
      return position_;
    }
 
    inline void setPosition(PositionType const & position)
    {
      position_ = position;
    }
 
 
    inline ChromatogramPeak & operator=(const ChromatogramPeak & rhs)
    {
      if (this == &rhs) return *this;
 
      intensity_ = rhs.intensity_;
      position_ = rhs.position_;
 
      return *this;
    }
 
    inline bool operator==(const ChromatogramPeak & rhs) const
    {
#pragma clang diagnostic push
#pragma clang diagnostic ignored "-Wfloat-equal"
      return intensity_ == rhs.intensity_ && position_ == rhs.position_;
#pragma clang diagnostic pop
    }
 
    inline bool operator!=(const ChromatogramPeak & rhs) const
    {
      return !(operator==(rhs));
    }
 
    struct IntensityLess
    {
      inline bool operator()(ChromatogramPeak const & left, ChromatogramPeak const & right) const
      {
        return left.getIntensity() < right.getIntensity();
      }
 
      inline bool operator()(ChromatogramPeak const & left, IntensityType right) const
      {
        return left.getIntensity() < right;
      }
 
      inline bool operator()(IntensityType left, ChromatogramPeak const & right) const
      {
        return left < right.getIntensity();
      }
 
      inline bool operator()(IntensityType left, IntensityType right) const
      {
        return left < right;
      }
 
    };
 
    struct RTLess
    {
      inline bool operator()(const ChromatogramPeak & left, const ChromatogramPeak & right) const
      {
        return left.getRT() < right.getPos();
      }
 
      inline bool operator()(ChromatogramPeak const & left, CoordinateType right) const
      {
        return left.getRT() < right;
      }
 
      inline bool operator()(CoordinateType left, ChromatogramPeak const & right) const
      {
        return left < right.getRT();
      }
 
      inline bool operator()(CoordinateType left, CoordinateType right) const
      {
        return left < right;
      }
 
    };
 
    struct PositionLess
    {
      inline bool operator()(const ChromatogramPeak & left, const ChromatogramPeak & right) const
      {
        return left.getPosition() < right.getPosition();
      }
 
      inline bool operator()(const ChromatogramPeak & left, const PositionType & right) const
      {
        return left.getPosition() < right;
      }
 
      inline bool operator()(const PositionType & left, const ChromatogramPeak & right) const
      {
        return left < right.getPosition();
      }
 
      inline bool operator()(const PositionType & left, const PositionType & right) const
      {
        return left < right;
      }
    };
protected:
    PositionType    position_;
    IntensityType intensity_;
  };
 
  OPENMS_DLLAPI std::ostream & operator<<(std::ostream & os, const ChromatogramPeak & point);
 
} // namespace OpenMS