Home  · Classes  · Annotated Classes  · Modules  · Members  · Namespaces  · Related Pages

LmaGaussFitter1D.h (Maintainer: Marcel Grunert)

Go to the documentation of this file.
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

Generated Tue Apr 1 15:36:35 2008 -- using doxygen 1.5.4 OpenMS / TOPP 1.1