EGHModel.h

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// --------------------------------------------------------------------------
//                   OpenMS -- Open-Source Mass Spectrometry
// --------------------------------------------------------------------------
// Copyright The OpenMS Team -- Eberhard Karls University Tuebingen,
// ETH Zurich, and Freie Universitaet Berlin 2002-2020.
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// $Maintainer: Timo Sachsenberg$
// $Authors: Stephan Aiche $
// --------------------------------------------------------------------------
 
#pragma once
 
#include <OpenMS/TRANSFORMATIONS/FEATUREFINDER/InterpolationModel.h>
#include <OpenMS/MATH/STATISTICS/BasicStatistics.h>
 
#include <boost/math/tr1.hpp>
 
namespace OpenMS
{
  class OPENMS_DLLAPI EGHModel :
    public InterpolationModel
  {
 
public:
    typedef InterpolationModel::CoordinateType CoordinateType;
    typedef Math::BasicStatistics<CoordinateType> BasicStatistics;
    typedef LinearInterpolation::container_type ContainerType;
 
    EGHModel();
 
    EGHModel(const EGHModel & source);
 
    ~EGHModel() override;
 
    virtual EGHModel & operator=(const EGHModel & source);
 
    static BaseModel<1> * create()
    {
      return new EGHModel();
    }
 
    static const String getProductName()
    {
      return "EGHModel";
    }
 
    void setOffset(CoordinateType offset) override;
 
    void setSamples() override;
 
    CoordinateType getCenter() const override;
 
protected:
    CoordinateType  min_;
    CoordinateType  max_;
    BasicStatistics statistics_;
    CoordinateType  height_;     // H in paper
    CoordinateType  apex_rt_;
 
    CoordinateType  A_;
    CoordinateType  B_;
 
    CoordinateType  tau_;
    CoordinateType  sigma_square_;
    CoordinateType  sigma_square_2_;
 
 
    void updateMembers_() override;
 
    void computeBoundaries_();
 
    inline void evaluateEGH_(CoordinateType & rt, CoordinateType & egh_value)
    {
      CoordinateType denominator = sigma_square_2_ + tau_ * rt;
 
      if (denominator > 0)
      {
        // evaluate egh ->
        egh_value = height_ * exp(
          (-1 * rt * rt) / denominator
          );
      }
      else
      {
        egh_value = 0.0;
      }
    }
 
  };
 
} // namespace OpenMS