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ExtendedIsotopeFitter1D.h (Maintainer: Marcel Grunert)

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00001 // -*- Mode: C++; tab-width: 2; -*-
00002 // vi: set ts=2:
00003 //
00004 // --------------------------------------------------------------------------
00005 //                   OpenMS Mass Spectrometry Framework
00006 // --------------------------------------------------------------------------
00007 //  Copyright (C) 2003-2008 -- Oliver Kohlbacher, Knut Reinert
00008 //
00009 //  This library is free software; you can redistribute it and/or
00010 //  modify it under the terms of the GNU Lesser General Public
00011 //  License as published by the Free Software Foundation; either
00012 //  version 2.1 of the License, or (at your option) any later version.
00013 //
00014 //  This library is distributed in the hope that it will be useful,
00015 //  but WITHOUT ANY WARRANTY; without even the implied warranty of
00016 //  MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the GNU
00017 //  Lesser General Public License for more details.
00018 //
00019 //  You should have received a copy of the GNU Lesser General Public
00020 //  License along with this library; if not, write to the Free Software
00021 //  Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA  02111-1307  USA
00022 //
00023 // --------------------------------------------------------------------------
00024 // $Maintainer: Marcel Grunert $
00025 // --------------------------------------------------------------------------
00026 
00027 #ifndef OPENMS_TRANSFORMATIONS_FEATUREFINDER_EXTENDEDISOTOPEFITTER1D_H
00028 #define OPENMS_TRANSFORMATIONS_FEATUREFINDER_EXTENDEDISOTOPEFITTER1D_H
00029 
00030 #include <OpenMS/TRANSFORMATIONS/FEATUREFINDER/MaxLikeliFitter1D.h>
00031 #include <OpenMS/MATH/STATISTICS/BasicStatistics.h>
00032 #include <OpenMS/MATH/MISC/MathFunctions.h>
00033 
00034 namespace OpenMS
00035 {
00043     class ExtendedIsotopeFitter1D
00044     : public MaxLikeliFitter1D
00045     {
00046         public:
00047   
00049             ExtendedIsotopeFitter1D();
00050         
00052             ExtendedIsotopeFitter1D(const ExtendedIsotopeFitter1D& source);
00053         
00055             virtual ~ExtendedIsotopeFitter1D();
00056         
00058             virtual ExtendedIsotopeFitter1D& operator = (const ExtendedIsotopeFitter1D& source);
00059       
00061             static Fitter1D* create()
00062             {
00063               return new ExtendedIsotopeFitter1D();
00064             }
00065       
00067             static const String getProductName()
00068             {
00069               return "ExtendedIsotopeFitter1D";
00070             }
00071             
00073             QualityType fit1d(const RawDataArrayType& range, InterpolationModel*& model);
00074     
00075         protected:
00076   
00078             CoordinateType charge_;
00080             CoordinateType isotope_stdev_;
00082             CoordinateType monoisotopic_mz_;
00084             Int max_isotope_;
00085         
00086             void updateMembers_();
00087   };
00088 }
00089 
00090 #endif // OPENMS_TRANSFORMATIONS_FEATUREFINDER_EXTENDEDISOTOPEFITTER1D_H

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