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

EGHFitter1D.h

Go to the documentation of this file.
00001 // --------------------------------------------------------------------------
00002 //                   OpenMS -- Open-Source Mass Spectrometry
00003 // --------------------------------------------------------------------------
00004 // Copyright The OpenMS Team -- Eberhard Karls University Tuebingen,
00005 // ETH Zurich, and Freie Universitaet Berlin 2002-2012.
00006 //
00007 // This software is released under a three-clause BSD license:
00008 //  * Redistributions of source code must retain the above copyright
00009 //    notice, this list of conditions and the following disclaimer.
00010 //  * Redistributions in binary form must reproduce the above copyright
00011 //    notice, this list of conditions and the following disclaimer in the
00012 //    documentation and/or other materials provided with the distribution.
00013 //  * Neither the name of any author or any participating institution
00014 //    may be used to endorse or promote products derived from this software
00015 //    without specific prior written permission.
00016 // For a full list of authors, refer to the file AUTHORS.
00017 // --------------------------------------------------------------------------
00018 // THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS"
00019 // AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
00020 // IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE
00021 // ARE DISCLAIMED. IN NO EVENT SHALL ANY OF THE AUTHORS OR THE CONTRIBUTING
00022 // INSTITUTIONS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
00023 // EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
00024 // PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS;
00025 // OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY,
00026 // WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR
00027 // OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF
00028 // ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
00029 //
00030 // --------------------------------------------------------------------------
00031 // $Maintainer: Stephan Aiche $
00032 // $Authors: Stephan Aiche $
00033 // --------------------------------------------------------------------------
00034 
00035 #ifndef OPENMS_SIMULATION_EGHFITTER1D_H
00036 #define OPENMS_SIMULATION_EGHFITTER1D_H
00037 
00038 #define DEBUG_FEATUREFINDER
00039 
00040 #include <OpenMS/TRANSFORMATIONS/FEATUREFINDER/LevMarqFitter1D.h>
00041 
00042 namespace OpenMS
00043 {
00049   class OPENMS_DLLAPI EGHFitter1D :
00050     public LevMarqFitter1D
00051   {
00052 public:
00054     EGHFitter1D();
00055 
00057     EGHFitter1D(const EGHFitter1D & source);
00058 
00060     virtual ~EGHFitter1D();
00061 
00063     virtual EGHFitter1D & operator=(const EGHFitter1D & source);
00064 
00066     static Fitter1D * create()
00067     {
00068       return new EGHFitter1D();
00069     }
00070 
00072     static const String getProductName()
00073     {
00074       return "EGHFitter1D";
00075     }
00076 
00078     QualityType fit1d(const RawDataArrayType & range, InterpolationModel * & model);
00079 
00080 protected:
00081 
00083     struct Data
00084     {
00085       typedef Peak1D PeakType;
00086       typedef std::vector<PeakType> RawDataArrayType;
00087 
00088       Size n;
00089       RawDataArrayType set;
00090     };
00091 
00093     virtual void setInitialParameters_(const RawDataArrayType & set);
00094 
00096     static Int residual_(const gsl_vector * x, void * params, gsl_vector * f);
00097 
00099     static Int jacobian_(const gsl_vector * x, void * params, gsl_matrix * J);
00100 
00102     static Int evaluate_(const gsl_vector * x, void * params, gsl_vector * f, gsl_matrix * J);
00103 
00107     void printState_(Int iter, gsl_multifit_fdfsolver * s);
00108 
00110     CoordinateType height_;
00112     CoordinateType tau_;
00114     CoordinateType sigma_square_;
00116     CoordinateType retention_;
00117 
00118     void updateMembers_();
00119   };
00120 
00121 }
00122 
00123 #endif // OPENMS_SIMULATION_EGHFITTER1D_H

OpenMS / TOPP release 1.10.0 Documentation generated on Thu Mar 7 2013 09:42:38 using doxygen 1.7.1