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_ISOTOPEFITTER1D_H 00028 #define OPENMS_TRANSFORMATIONS_FEATUREFINDER_ISOTOPEFITTER1D_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 IsotopeFitter1D 00044 : public MaxLikeliFitter1D 00045 { 00046 public: 00047 00049 IsotopeFitter1D(); 00050 00052 IsotopeFitter1D(const IsotopeFitter1D& source); 00053 00055 virtual ~IsotopeFitter1D(); 00056 00058 virtual IsotopeFitter1D& operator = (const IsotopeFitter1D& source); 00059 00061 static Fitter1D* create() 00062 { 00063 return new IsotopeFitter1D(); 00064 } 00065 00067 static const String getProductName() 00068 { 00069 return "IsotopeFitter1D"; 00070 } 00071 00073 QualityType fit1d(const RawDataArrayType& range, InterpolationModel*& model); 00074 00075 protected: 00076 00078 CoordinateType charge_; 00080 CoordinateType isotope_stdev_; 00082 Int max_isotope_; 00083 00084 void updateMembers_(); 00085 }; 00086 } 00087 00088 #endif // OPENMS_TRANSFORMATIONS_FEATUREFINDER_ISOTOPEFITTER1D_H
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