QtiPlot  0.9.8.2
Public Types | Public Member Functions | Static Public Member Functions | Private Member Functions | Static Private Member Functions | Private Attributes
MultiPeakFit Class Reference

#include <MultiPeakFit.h>

Inheritance diagram for MultiPeakFit:
Fit Filter GaussFit LorentzFit

List of all members.

Public Types

enum  PeakProfile { Gauss, Lorentz }
- Public Types inherited from Fit
enum  Algorithm { ScaledLevenbergMarquardt, UnscaledLevenbergMarquardt, NelderMeadSimplex }
typedef int(* fit_function )(const gsl_vector *, void *, gsl_vector *)
typedef int(* fit_function_df )(const gsl_vector *, void *, gsl_matrix *)
typedef int(* fit_function_fdf )(const gsl_vector *, void *, gsl_vector *, gsl_matrix *)
typedef double(* fit_function_simplex )(const gsl_vector *, void *)
enum  FitType { BuiltIn = 0, Plugin = 1, User = 2 }
enum  WeightingMethod {
  NoWeighting, Instrumental, Statistical, Dataset,
  Direct
}

Public Member Functions

void enablePeakCurves (bool on)
virtual double eval (double *par, double x)
 Calculates the data for the output fit curve.
double evalPeak (double *par, double x, int peak)
void guessInitialValues ()
 Used by the GaussFit and LorentzFit derived classes to calculate initial values for the parameters.
 MultiPeakFit (ApplicationWindow *parent, QwtPlotCurve *c, PeakProfile profile=Gauss, int peaks=1)
 MultiPeakFit (ApplicationWindow *parent, Graph *g=0, PeakProfile profile=Gauss, int peaks=1)
 MultiPeakFit (ApplicationWindow *parent, Table *t, const QString &xCol, const QString &yCol, int startRow=0, int endRow=-1, PeakProfile profile=Gauss, int peaks=1)
int peaks ()
PeakProfile profile ()
void setNumPeaks (int n)
void setPeakCurvesColor (int colorIndex)
void setPeakCurvesColor (const QColor &color)
- Public Member Functions inherited from Fit
double adjustedRSquare ()
 Returns adjusted R^2.
double chiSquare ()
 Returns the sum of squares of the residuals from the best-fit line.
MatrixcovarianceMatrix (const QString &matrixName)
double * errors ()
 Returns a vector with the standard deviations of the results.
QString fileName ()
 Fit (ApplicationWindow *parent, QwtPlotCurve *c)
 Fit (ApplicationWindow *parent, Graph *g=0, const QString &name=QString())
 Fit (ApplicationWindow *parent, Table *t, const QString &name=QString())
virtual void fit ()
 Actually does the fit. Should be reimplemented in derived classes.
QString formula ()
void generateFunction (bool yes, int points=100)
 Specifies weather the result of the fit is a function curve.
double initialGuess (int parIndex)
double lcl (int parIndex, double confidenceLevel)
 Lower Confidence Limit.
virtual QString legendInfo ()
 Output string added to the plot as a new legend.
bool load (const QString &fileName)
int numParameters ()
QStringList parameterNames ()
TableparametersTable (const QString &tableName)
double * residuals ()
 Returns a vector with the fit residuals.
QString resultFormula ()
double * results ()
 Returns a vector with the fit results.
double rmse ()
 Returns the Root Mean Squared Error.
double rSquare ()
 Returns R^2.
double rss ()
 Returns the Residual Sum of Squares.
virtual bool run ()
 Actually does the job. Should be reimplemented in derived classes.
bool save (const QString &fileName)
void scaleErrors (bool yes=true)
 Specifies wheather the errors must be scaled with sqrt(chi_2/dof)
void setAlgorithm (Algorithm s)
void setDataCurve (QwtPlotCurve *curve, double start, double end)
bool setDataFromTable (Table *t, const QString &xColName, const QString &yColName, int from=1, int to=-1, bool sort=false)
void setFileName (const QString &fn)
virtual bool setFormula (const QString &, bool=true)
void setInitialGuess (int parIndex, double val)
void setInitialGuesses (double *x_init)
void setParameterExplanations (const QStringList &lst)
void setParameterRange (int parIndex, double left, double right)
virtual bool setParametersList (const QStringList &)
void setType (FitType t)
bool setWeightingData (WeightingMethod w, const QString &colName=QString::null)
 Sets the data set to be used for weighting.
void showConfidenceLimits (double confidenceLevel)
void showPredictionLimits (double confidenceLevel)
QwtPlotCurve * showResiduals ()
 Plot residuals and display data values in a column.
FitType type ()
double ucl (int parIndex, double confidenceLevel)
 Upper Confidence Limit.
void writeParametersToTable (Table *t, bool append=false)
 ~Fit ()
- Public Member Functions inherited from Filter
int dataSize ()
 Returns the size of the input data set.
virtual void enableGraphicsDisplay (bool on=true, Graph *g=0)
bool error ()
 Filter (ApplicationWindow *parent, Table *t=0, const QString &name=QString())
 Filter (ApplicationWindow *parent, Graph *g=0, const QString &name=QString())
 Filter (ApplicationWindow *parent, Matrix *m, const QString &name=QString())
 Filter (ApplicationWindow *parent, QwtPlotCurve *c)
GraphoutputGraph ()
 Returns a pointer to the graph where the result curve should be displayed.
TableresultTable ()
 Returns a pointer to the table created to display the results.
void setColor (int colorId)
 Obsolete: sets the color of the output fit curve.
void setColor (const QColor &color)
 Sets the color of the output fit curve.
void setColor (const QString &colorName)
 Sets the color of the output fit curve. Provided for convenience. To be used in scripts only!
bool setDataFromCurve (QwtPlotCurve *c)
bool setDataFromCurve (QwtPlotCurve *c, double from, double to)
bool setDataFromCurve (const QString &curveTitle, Graph *g=0)
bool setDataFromCurve (const QString &curveTitle, double from, double to, Graph *g=0)
void setError (bool on=true)
void setInterval (double from, double to)
 Changes the data range if the source curve was already assigned. Provided for convenience.
void setMaximumIterations (int iter)
 Sets the maximum number of iterations to be performed during an iterative session.
void setOutputPoints (int points)
 Sets the number of points in the output curve.
void setOutputPrecision (int digits)
 Sets the precision used for the output.
void setSortData (bool on=true)
void setTolerance (double eps)
 Sets the tolerance used by the GSL routines.
void setUpdateOutputGraph (bool update=true)
virtual void showLegend ()
 Adds a new legend to the plot. Calls virtual legendInfo()
double * x ()
 Returns the x values of the input data set.
double * y ()
 Returns the y values of the input data set.
 ~Filter ()

Static Public Member Functions

static QStringList generateExplanationList (int order)
static QString generateFormula (int order, PeakProfile profile)
static QStringList generateParameterList (int order)

Private Member Functions

void customizeFitResults ()
 Customs and stores the fit results according to the derived class specifications. Used by exponential fits.
void generateFitCurve ()
 Adds the result curve to the plot.
void init (int)
void insertPeakFunctionCurve (int peak)
 Inserts a peak function curve into the plot.
QString logFitInfo (int iterations, int status)
 Output string added to the result log.

Static Private Member Functions

static QString peakFormula (int peakIndex, PeakProfile profile)

Private Attributes

int d_peaks
 Number of peaks.
QColor d_peaks_color
 Color for the peak curves.
PeakProfile d_profile
 The peak profile.
bool generate_peak_curves
 Tells weather the peak curves should be displayed together with the best line fit.

Additional Inherited Members

- Protected Member Functions inherited from Fit
virtual void calculateFitCurveData (double *X, double *Y)
 Calculates the data for the output fit curve and store itin the X an Y vectors.
virtual void freeMemory ()
 Frees all the arrays with size d_n. Used when changing the source data sets.
void freeWorkspace ()
 Frees the memory allocated for the fit workspace.
void initWorkspace (int par)
 Allocates the memory for the fit workspace.
virtual FunctionCurveinsertFitFunctionCurve (const QString &name, int penWidth=1, bool updateData=true)
 Adds the result curve as a FunctionCurve to the plot, if d_gen_function = true.
- Protected Member Functions inherited from Filter
QwtPlotCurve * addResultCurve (double *x, double *y)
 Adds the result curve to the target output plot window. Creates a hidden table and frees the input data from memory.
virtual void calculateOutputData (double *X, double *Y)
 Calculates the data for the output curve and store it in the X an Y vectors.
MultiLayercreateOutputGraph ()
virtual int curveData (QwtPlotCurve *c, double start, double end, double **x, double **y)
int curveIndex (const QString &curveTitle, Graph *g)
 Performs checks and returns the index of the source data curve if OK, -1 otherwise.
int curveRange (QwtPlotCurve *c, double start, double end, int *iStart, int *iEnd)
virtual QString logInfo ()
 Output string added to the log pannel of the application.
void memoryErrorMessage ()
virtual void output ()
 Performs the data analysis and takes care of the output.
virtual int sortedCurveData (QwtPlotCurve *c, double start, double end, double **x, double **y)
 Same as curveData, but sorts the points by their x value.
- Protected Attributes inherited from Fit
double chi_2
 The sum of squares of the residuals from the best-fit line.
gsl_matrix * covar
 Covariance matrix.
double d_adjusted_r_square
 Adjusted R^2.
Matrixd_cov_matrix
 Matrix window used for the output of covariance matrix.
fit_function_df d_df
double * d_errors
 Stores standard deviations of the result parameters.
fit_function d_f
fit_function_fdf d_fdf
QString d_file_name
 Path of the XML file where the user stores the fit model.
FitType d_fit_type
QString d_formula
 The fit formula given on input.
fit_function_simplex d_fsimplex
bool d_gen_function
 Specifies weather the result curve is a FunctionCurve or a normal curve with the same x values as the fit data.
int d_p
 Number of fit parameters.
QStringList d_param_explain
 Stores a list of short explanations for the significance of the fit parameters.
gsl_vector * d_param_init
 Initial guesses for the fit parameters.
QStringList d_param_names
 Names of the fit parameters.
double * d_param_range_left
 Stores the left limits of the research interval for the result parameters.
double * d_param_range_right
 Stores the right limits of the research interval for the result parameters.
QPointer< Tabled_param_table
 Table window used for the output of fit parameters.
double * d_residuals
 Stores fit residuals.
QString d_result_formula
 The result fit formula, where the fit parameters are replaced with the calculated values.
double * d_results
 Stores the result parameters.
double d_rss
 Residual sum of squares.
bool d_scale_errors
 Specifies wheather the errors must be scaled with sqrt(chi_2/dof)
Algorithm d_solver
 Algorithm type.
double * d_w
 weighting data set used for the fit
WeightingMethod d_weighting
 The kind of weighting to be performed on the data.
bool is_non_linear
 Tells whether the fitter uses non-linear/simplex fitting with an initial parameters set, that must be freed in the destructor.
QString weighting_dataset
 The name of the weighting dataset.
- Protected Attributes inherited from Filter
QwtPlotCurve * d_curve
 The curve to be analysed.
QColor d_curveColor
 Color index of the result curve.
QString d_explanation
 String explaining the operation in the comment of the result table and in the project explorer.
double d_from
 Data interval.
Graphd_graph
 The source graph with the curve to be analyzed.
bool d_graphics_display
 Specifies if the filter should display a result curve.
bool d_init_err
 Error flag telling if something went wrong during the initialization phase.
Matrixd_matrix
int d_max_iterations
 Maximum number of iterations per fit.
int d_min_points
 Minimum number of data points necessary to perform the operation.
int d_n
 Size of the data arrays.
Graphd_output_graph
 The graph where the result curve should be displayed.
int d_points
 Number of result points to de calculated and displayed in the output curve.
int d_prec
 Precision (number of significant digits) used for the results output.
Tabled_result_table
 The table displaying the results of the filtering operation (not alvays valid!)
bool d_sort_data
 Specifies if the filter needs sorted data as input.
Tabled_table
 A table source of data.
double d_to
double d_tolerance
 GSL Tolerance, if ever needed...
bool d_update_output_graph
 Specifies if the filter should update the output graph.
double * d_x
 x data set to be analysed
double * d_y
 y data set to be analysed
QString d_y_col_name

Member Enumeration Documentation

Enumerator:
Gauss 
Lorentz 

Constructor & Destructor Documentation

MultiPeakFit::MultiPeakFit ( ApplicationWindow parent,
QwtPlotCurve *  c,
PeakProfile  profile = Gauss,
int  peaks = 1 
)

References Fit::init().

MultiPeakFit::MultiPeakFit ( ApplicationWindow parent,
Graph g = 0,
PeakProfile  profile = Gauss,
int  peaks = 1 
)

References Fit::init().

MultiPeakFit::MultiPeakFit ( ApplicationWindow parent,
Table t,
const QString &  xCol,
const QString &  yCol,
int  startRow = 0,
int  endRow = -1,
PeakProfile  profile = Gauss,
int  peaks = 1 
)

References Fit::init().


Member Function Documentation

void MultiPeakFit::customizeFitResults ( )
privatevirtual

Customs and stores the fit results according to the derived class specifications. Used by exponential fits.

Reimplemented from Fit.

References d_peaks, and Fit::d_results.

Referenced by generateFitCurve().

void MultiPeakFit::enablePeakCurves ( bool  on)
inline
double MultiPeakFit::eval ( double *  ,
double   
)
virtual

Calculates the data for the output fit curve.

Reimplemented from Fit.

References Fit::d_p, d_peaks, evalPeak(), and Filter::y().

double MultiPeakFit::evalPeak ( double *  par,
double  x,
int  peak 
)

References d_profile, and Gauss.

Referenced by eval().

QStringList MultiPeakFit::generateExplanationList ( int  order)
static

References peaks().

Referenced by setNumPeaks().

void MultiPeakFit::generateFitCurve ( )
privatevirtual
QString MultiPeakFit::generateFormula ( int  order,
PeakProfile  profile 
)
static

References Fit::formula(), Gauss, Lorentz, peakFormula(), and peaks().

Referenced by setNumPeaks().

QStringList MultiPeakFit::generateParameterList ( int  order)
static

References peaks().

Referenced by setNumPeaks().

void MultiPeakFit::guessInitialValues ( )
virtual

Used by the GaussFit and LorentzFit derived classes to calculate initial values for the parameters.

Reimplemented from Fit.

References Filter::d_n, Fit::d_param_init, d_peaks, d_profile, Filter::d_x, Filter::d_y, and Lorentz.

void MultiPeakFit::init ( int  peaks)
private
void MultiPeakFit::insertPeakFunctionCurve ( int  peak)
private
QString MultiPeakFit::logFitInfo ( int  iterations,
int  status 
)
privatevirtual

Output string added to the result log.

Reimplemented from Fit.

References d_peaks, Filter::d_prec, d_profile, Fit::d_results, and Lorentz.

QString MultiPeakFit::peakFormula ( int  peakIndex,
PeakProfile  profile 
)
staticprivate
int MultiPeakFit::peaks ( )
inline
PeakProfile MultiPeakFit::profile ( )
inline

References d_profile.

void MultiPeakFit::setNumPeaks ( int  n)
void MultiPeakFit::setPeakCurvesColor ( int  colorIndex)
void MultiPeakFit::setPeakCurvesColor ( const QColor &  color)
inline

References d_peaks_color.


Member Data Documentation

int MultiPeakFit::d_peaks
private
QColor MultiPeakFit::d_peaks_color
private

Color for the peak curves.

Referenced by generateFitCurve(), init(), insertPeakFunctionCurve(), and setPeakCurvesColor().

PeakProfile MultiPeakFit::d_profile
private
bool MultiPeakFit::generate_peak_curves
private

Tells weather the peak curves should be displayed together with the best line fit.

Referenced by enablePeakCurves(), generateFitCurve(), and init().


The documentation for this class was generated from the following files: