PeakShape.h

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// $Maintainer: Alexandra Zerck $
// $Authors: Eva Lange $
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#ifndef OPENMS_TRANSFORMATIONS_RAW2PEAK_PEAKSHAPE_H
#define OPENMS_TRANSFORMATIONS_RAW2PEAK_PEAKSHAPE_H

#include <cmath>

#include <OpenMS/CONCEPT/Types.h>
#include <OpenMS/KERNEL/MSSpectrum.h>

namespace OpenMS
{
  struct OPENMS_DLLAPI PeakShape
  {
    enum Type
    {
      LORENTZ_PEAK,
      SECH_PEAK,
      UNDEFINED
    };

    typedef MSSpectrum<>::const_iterator PeakIterator;

    PeakShape() :
      height(0),
      mz_position(0),
      left_width(0),
      right_width(0),
      area(0),
      r_value(0),
      signal_to_noise(0.),
      type(UNDEFINED)
    {
      left_endpoint_ = exp_.end();
      right_endpoint_ = exp_.end();
    }

    PeakShape(DoubleReal height_, DoubleReal mz_position_, DoubleReal left_width_, DoubleReal right_width_, DoubleReal area_, PeakIterator left_, PeakIterator right_, Type type_);

    PeakShape(DoubleReal height_, DoubleReal mz_position_, DoubleReal left_width_, DoubleReal right_width_, DoubleReal area_, Type type_);


    PeakShape(const PeakShape & rhs);

    virtual ~PeakShape()
    {
    }

    PeakShape & operator=(const PeakShape & rhs);

    //Equality operator
    bool operator==(const PeakShape & rhs) const;
    //Equality operator
    bool operator!=(const PeakShape & rhs) const;

    DoubleReal operator()(DoubleReal x) const;
    DoubleReal getSymmetricMeasure() const;
    DoubleReal getFWHM() const;
    bool iteratorsSet() const;

    PeakIterator getLeftEndpoint() const;
    void setLeftEndpoint(PeakIterator left_endpoint);

    PeakIterator getRightEndpoint() const;
    void setRightEndpoint(PeakIterator right_endpoint);
    DoubleReal height;
    DoubleReal mz_position;
    DoubleReal left_width;
    DoubleReal right_width;
    DoubleReal area;
    DoubleReal r_value;
    DoubleReal signal_to_noise;

    Type type;

    class OPENMS_DLLAPI PositionLess
    {
public:

      inline bool operator()(const PeakShape & a, const PeakShape & b)
      {
        return a.mz_position < b.mz_position;
      }

    };
protected:
    PeakIterator left_endpoint_;
    PeakIterator right_endpoint_;
    MSSpectrum<> exp_;
    bool left_iterator_set_;
    bool right_iterator_set_;
  };
} // namespace OpenMS

#endif