LmaIsotopeModel.h

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// $Maintainer: Clemens Groepl $
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#ifndef OPENMS_TRANSFORMATIONS_FEATUREFINDER_LMAISOTOPEMODEL_H
#define OPENMS_TRANSFORMATIONS_FEATUREFINDER_LMAISOTOPEMODEL_H

#include <OpenMS/TRANSFORMATIONS/FEATUREFINDER/InterpolationModel.h>

namespace OpenMS
{
  class OPENMS_DLLAPI LmaIsotopeModel :
    public InterpolationModel
  {

public:

    typedef InterpolationModel::CoordinateType CoordinateType;
    typedef InterpolationModel::CoordinateType IntensityType;

    enum Averagines {C = 0, H, N, O, S, AVERAGINE_NUM};

    LmaIsotopeModel();

    LmaIsotopeModel(const LmaIsotopeModel & source);

    virtual ~LmaIsotopeModel();

    virtual LmaIsotopeModel & operator=(const LmaIsotopeModel & source);

    UInt getCharge();

    static BaseModel<1> * create()
    {
      return new LmaIsotopeModel();
    }

    static const String getProductName()
    {
      return "LmaIsotopeModel";
    }

    void setOffset(CoordinateType offset);

    CoordinateType getOffset();

    void setSamples();

    CoordinateType getCenter() const;

protected:

    CoordinateType total_intensity_;
    CoordinateType min_;
    CoordinateType max_;

    CoordinateType isotope_stdev_;
    UInt charge_;
    CoordinateType mean_;
    CoordinateType monoisotopic_mz_;
    DoubleReal averagine_[AVERAGINE_NUM];
    Int max_isotope_;
    DoubleReal trim_right_cutoff_;
    DoubleReal isotope_distance_;

    void updateMembers_();
  };
}

#endif // OPENMS_TRANSFORMATIONS_FEATUREFINDER_LMAISOTOPEMODEL_H