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_LMAGAUSSFITTER1D_H 00028 #define OPENMS_TRANSFORMATIONS_FEATUREFINDER_LMAGAUSSFITTER1D_H 00029 00030 #include <OpenMS/TRANSFORMATIONS/FEATUREFINDER/LevMarqFitter1D.h> 00031 #include <OpenMS/MATH/STATISTICS/BasicStatistics.h> 00032 00033 namespace OpenMS 00034 { 00042 class LmaGaussFitter1D 00043 : public LevMarqFitter1D 00044 { 00045 public: 00046 00048 LmaGaussFitter1D(); 00049 00051 LmaGaussFitter1D(const LmaGaussFitter1D& source); 00052 00054 virtual ~LmaGaussFitter1D(); 00055 00057 virtual LmaGaussFitter1D& operator = (const LmaGaussFitter1D& source); 00058 00060 static Fitter1D* create() 00061 { 00062 return new LmaGaussFitter1D(); 00063 } 00064 00066 static const String getProductName() 00067 { 00068 return "LmaGaussFitter1D"; 00069 } 00070 00072 QualityType fit1d(const RawDataArrayType& range, InterpolationModel*& model); 00073 00074 protected: 00075 00077 struct Data 00078 { 00079 typedef RawDataPoint1D RawDataPointType; 00080 typedef DPeakArray<RawDataPointType > RawDataArrayType; 00081 00082 UInt n; 00083 RawDataArrayType set; 00084 }; 00085 00087 void setInitialParameters_(const RawDataArrayType& set); 00088 00090 static Int residual_(const gsl_vector* x, void* params, gsl_vector* f); 00091 00093 static Int jacobian_(const gsl_vector* x, void* params, gsl_matrix* J); 00094 00096 static Int evaluate_(const gsl_vector* x, void* params, gsl_vector* f, gsl_matrix* J); 00097 00101 void printState_(Int iter, gsl_multifit_fdfsolver * s); 00102 00104 CoordinateType standard_deviation_; 00106 CoordinateType scale_factor_; 00108 CoordinateType expected_value_; 00109 00110 void updateMembers_(); 00111 }; 00112 00113 } 00114 00115 #endif // OPENMS_TRANSFORMATIONS_FEATUREFINDER_LMAGAUSSFITTER1D_H
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