Fit.h

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00001 /***************************************************************************
00002     File                 : Fit.h
00003     Project              : QtiPlot
00004     --------------------------------------------------------------------
00005     Copyright            : (C) 2006 by Ion Vasilief, Tilman Hoener zu Siederdissen
00006     Email (use @ for *)  : ion_vasilief*yahoo.fr, thzs*gmx.net
00007     Description          : Fit base class
00008 
00009  ***************************************************************************/
00010 
00011 /***************************************************************************
00012  *                                                                         *
00013  *  This program is free software; you can redistribute it and/or modify   *
00014  *  it under the terms of the GNU General Public License as published by   *
00015  *  the Free Software Foundation; either version 2 of the License, or      *
00016  *  (at your option) any later version.                                    *
00017  *                                                                         *
00018  *  This program is distributed in the hope that it will be useful,        *
00019  *  but WITHOUT ANY WARRANTY; without even the implied warranty of         *
00020  *  MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the          *
00021  *  GNU General Public License for more details.                           *
00022  *                                                                         *
00023  *   You should have received a copy of the GNU General Public License     *
00024  *   along with this program; if not, write to the Free Software           *
00025  *   Foundation, Inc., 51 Franklin Street, Fifth Floor,                    *
00026  *   Boston, MA  02110-1301  USA                                           *
00027  *                                                                         *
00028  ***************************************************************************/
00029 #ifndef FIT_H
00030 #define FIT_H
00031 
00032 #include <QObject>
00033 
00034 #include "ApplicationWindow.h"
00035 #include "Filter.h"
00036 
00037 #include <gsl/gsl_multifit_nlin.h>
00038 #include <gsl/gsl_multimin.h>
00039 
00040 class Table;
00041 class Matrix;
00042 
00044 class Fit : public Filter
00045 {
00046     Q_OBJECT
00047 
00048     public:
00049 
00050         typedef double (*fit_function_simplex)(const gsl_vector *, void *);
00051         typedef int (*fit_function)(const gsl_vector *, void *, gsl_vector *);
00052         typedef int (*fit_function_df)(const gsl_vector *, void *, gsl_matrix *);
00053         typedef int (*fit_function_fdf)(const gsl_vector *, void *, gsl_vector *, gsl_matrix *);
00054 
00055         enum Algorithm{ScaledLevenbergMarquardt, UnscaledLevenbergMarquardt, NelderMeadSimplex};
00056         enum WeightingMethod{NoWeighting, Instrumental, Statistical, Dataset};
00057         enum FitType{BuiltIn = 0, Plugin = 1, User = 2};
00058 
00059         Fit(ApplicationWindow *parent, Graph *g = 0, const QString& name = QString());
00060         Fit(ApplicationWindow *parent, Table *t, const QString& name = QString());
00061         ~Fit();
00062 
00064         virtual void fit();
00065         virtual bool run(){fit(); return true;};
00066 
00068         bool setWeightingData(WeightingMethod w, const QString& colName = QString::null);
00069 
00070         void setDataCurve(int curve, double start, double end);
00071         bool setDataFromTable(Table *t, const QString& xColName, const QString& yColName, int from = 1, int to = -1);
00072 
00073         QString resultFormula(){return d_result_formula;};
00074         QString formula(){return d_formula;};
00075         virtual void setFormula(const QString&){};
00076 
00077         int numParameters(){return d_p;};
00078         QStringList parameterNames(){return d_param_names;};
00079         virtual void setParametersList(const QStringList&){};
00080         void setParameterExplanations(const QStringList& lst){d_param_explain = lst;};
00081 
00082         double initialGuess(int parIndex){return gsl_vector_get(d_param_init, parIndex);};
00083         void setInitialGuess(int parIndex, double val){gsl_vector_set(d_param_init, parIndex, val);};
00084         void setInitialGuesses(double *x_init);
00085 
00086         virtual void guessInitialValues(){};
00087 
00088         void setParameterRange(int parIndex, double left, double right);
00089         void setAlgorithm(Algorithm s){d_solver = s;};
00090 
00092         void generateFunction(bool yes, int points = 100);
00093 
00095         virtual QString legendInfo();
00096 
00098         double* results(){return d_results;};
00099 
00101         double* errors();
00102 
00104         double chiSquare() {return chi_2;};
00105 
00107         double rSquare();
00108 
00110         void scaleErrors(bool yes = true){d_scale_errors = yes;};
00111 
00112         Table* parametersTable(const QString& tableName);
00113         void writeParametersToTable(Table *t, bool append = false);
00114 
00115         Matrix* covarianceMatrix(const QString& matrixName);
00116 
00117         bool save(const QString& fileName);
00118         bool load(const QString& fileName);
00119 
00120         FitType type(){return d_fit_type;};
00121         void setType(FitType t){d_fit_type = t;};
00122 
00123         QString fileName(){return d_file_name;};
00124         void setFileName(const QString& fn){d_file_name = fn;};
00125 
00127         void freeMemory();
00128 
00130         virtual double eval(double *, double){return 0.0;};
00131 
00132     private:
00133         void init();
00134 
00136         gsl_multimin_fminimizer * fitSimplex(gsl_multimin_function f, int &iterations, int &status);
00137 
00139         gsl_multifit_fdfsolver * fitGSL(gsl_multifit_function_fdf f, int &iterations, int &status);
00140 
00142         virtual void customizeFitResults(){};
00143 
00144     protected:
00146         void initWorkspace(int par);
00148         void freeWorkspace();
00150         void insertFitFunctionCurve(const QString& name, double *x, double *y, int penWidth = 1);
00151 
00153         virtual void generateFitCurve();
00154 
00156         virtual void calculateFitCurveData(double *X, double *Y) {Q_UNUSED(X) Q_UNUSED(Y)};
00157 
00159         virtual QString logFitInfo(int iterations, int status);
00160 
00161         fit_function d_f;
00162         fit_function_df d_df;
00163         fit_function_fdf d_fdf;
00164         fit_function_simplex d_fsimplex;
00165 
00167         int d_p;
00168 
00170         gsl_vector *d_param_init;
00171 
00175         bool is_non_linear;
00176 
00178         double *d_w;
00179 
00181         QStringList d_param_names;
00182 
00184         QStringList d_param_explain;
00185 
00187         bool d_gen_function;
00188 
00190         Algorithm d_solver;
00191 
00193         QString d_formula;
00194 
00196         QString d_result_formula;
00197 
00199         gsl_matrix *covar;
00200 
00202         WeightingMethod d_weighting;
00203 
00205         QString weighting_dataset;
00206 
00208         double *d_results;
00209 
00211         double *d_errors;
00212 
00214         double chi_2;
00215 
00217         bool d_scale_errors;
00218 
00220         Table *d_param_table;
00221 
00223         Matrix *d_cov_matrix;
00224 
00225         FitType d_fit_type;
00226 
00228         QString d_file_name;
00229 
00231         double *d_param_range_left;
00232 
00234         double *d_param_range_right;
00235 };
00236 
00237 #endif

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