/usr/include/OpenMS/TRANSFORMATIONS/FEATUREFINDER/IsotopeFitter1D.h is in libopenms-dev 1.11.1-3.
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// OpenMS -- Open-Source Mass Spectrometry
// --------------------------------------------------------------------------
// Copyright The OpenMS Team -- Eberhard Karls University Tuebingen,
// ETH Zurich, and Freie Universitaet Berlin 2002-2013.
//
// This software is released under a three-clause BSD license:
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// notice, this list of conditions and the following disclaimer.
// * Redistributions in binary form must reproduce the above copyright
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// may be used to endorse or promote products derived from this software
// without specific prior written permission.
// For a full list of authors, refer to the file AUTHORS.
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// THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS"
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// --------------------------------------------------------------------------
// $Maintainer: Clemens Groepl $
// $Authors: $
// --------------------------------------------------------------------------
#ifndef OPENMS_TRANSFORMATIONS_FEATUREFINDER_ISOTOPEFITTER1D_H
#define OPENMS_TRANSFORMATIONS_FEATUREFINDER_ISOTOPEFITTER1D_H
#include <OpenMS/TRANSFORMATIONS/FEATUREFINDER/MaxLikeliFitter1D.h>
namespace OpenMS
{
/**
@brief Isotope distribution fitter (1-dim.) approximated using linear interpolation.
@htmlinclude OpenMS_IsotopeFitter1D.parameters
*/
class OPENMS_DLLAPI IsotopeFitter1D :
public MaxLikeliFitter1D
{
public:
/// Default constructor
IsotopeFitter1D();
/// copy constructor
IsotopeFitter1D(const IsotopeFitter1D & source);
/// destructor
virtual ~IsotopeFitter1D();
/// assignment operator
virtual IsotopeFitter1D & operator=(const IsotopeFitter1D & source);
/// create new IsotopeFitter1D object (function needed by Factory)
static Fitter1D * create()
{
return new IsotopeFitter1D();
}
/// name of the model (needed by Factory)
static const String getProductName()
{
return "IsotopeFitter1D";
}
/// return interpolation model
QualityType fit1d(const RawDataArrayType & range, InterpolationModel * & model);
protected:
/// isotope charge
CoordinateType charge_;
/// standard derivation in isotope
CoordinateType isotope_stdev_;
/// maximum isotopic rank to be considered
Int max_isotope_;
void updateMembers_();
};
}
#endif // OPENMS_TRANSFORMATIONS_FEATUREFINDER_ISOTOPEFITTER1D_H
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