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GumbelDistributionFitter.h

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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: David Wojnar $
00032 // $Authors: $
00033 // --------------------------------------------------------------------------
00034 //
00035 #ifndef OPENMS_MATH_STATISTICS_GUMBELDISTRIBUTIONFITTER_H
00036 #define OPENMS_MATH_STATISTICS_GUMBELDISTRIBUTIONFITTER_H
00037 
00038 #include <OpenMS/DATASTRUCTURES/String.h>
00039 #include <OpenMS/DATASTRUCTURES/DPosition.h>
00040 
00041 #include <vector>
00042 
00043 // gsl includes
00044 #include <gsl/gsl_rng.h>
00045 #include <gsl/gsl_vector.h>
00046 #include <gsl/gsl_multifit_nlin.h>
00047 
00048 
00049 namespace OpenMS
00050 {
00051   namespace Math
00052   {
00067     class OPENMS_DLLAPI GumbelDistributionFitter
00068     {
00069 public:
00070 
00072       struct GumbelDistributionFitResult
00073       {
00074 public:
00075 
00076         GumbelDistributionFitResult() :
00077           a(1.0),
00078           b(2.0)
00079         {
00080         }
00081 
00082         GumbelDistributionFitResult(const GumbelDistributionFitResult & rhs) :
00083           a(rhs.a),
00084           b(rhs.b)
00085         {
00086         }
00087 
00088         GumbelDistributionFitResult & operator=(const GumbelDistributionFitResult & rhs)
00089         {
00090           if (this != &rhs)
00091           {
00092             a = rhs.a;
00093             b = rhs.b;
00094           }
00095           return *this;
00096         }
00097 
00099         double a;
00100 
00102         double b;
00103       };
00104 
00106       GumbelDistributionFitter();
00108       virtual ~GumbelDistributionFitter();
00109 
00111       void setInitialParameters(const GumbelDistributionFitResult & result);
00112 
00120       GumbelDistributionFitResult fit(std::vector<DPosition<2> > & points);
00121 
00123       const String & getGnuplotFormula() const;
00124 
00125 protected:
00126 
00127       static int gumbelDistributionFitterf_(const gsl_vector * x, void * params, gsl_vector * f);
00128 
00129       static int gumbelDistributionFitterdf_(const gsl_vector * x, void * params, gsl_matrix * J);
00130 
00131       static int gumbelDistributionFitterfdf_(const gsl_vector * x, void * params, gsl_vector * f, gsl_matrix * J);
00132 
00133       void printState_(size_t iter, gsl_multifit_fdfsolver * s);
00134 
00135       GumbelDistributionFitResult init_param_;
00136 
00137       String gnuplot_formula_;
00138 
00139 private:
00141       GumbelDistributionFitter(const GumbelDistributionFitter & rhs);
00143       GumbelDistributionFitter & operator=(const GumbelDistributionFitter & rhs);
00144     };
00145   }
00146 }
00147 
00148 #endif

OpenMS / TOPP release 1.10.0 Documentation generated on Thu Mar 7 2013 09:42:39 using doxygen 1.7.1