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 |