QtiPlot
0.9.8.2
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#include <MultiPeakFit.h>
Public Types | |
enum | PeakProfile { Gauss, Lorentz } |
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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) |
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double | adjustedRSquare () |
Returns adjusted R^2. | |
double | chiSquare () |
Returns the sum of squares of the residuals from the best-fit line. | |
Matrix * | covarianceMatrix (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 () |
Table * | parametersTable (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 () | |
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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) | |
Graph * | outputGraph () |
Returns a pointer to the graph where the result curve should be displayed. | |
Table * | resultTable () |
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 | |
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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 FunctionCurve * | insertFitFunctionCurve (const QString &name, int penWidth=1, bool updateData=true) |
Adds the result curve as a FunctionCurve to the plot, if d_gen_function = true. | |
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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. | |
MultiLayer * | createOutputGraph () |
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. | |
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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. | |
Matrix * | d_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< Table > | d_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. | |
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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. | |
Graph * | d_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. | |
Matrix * | d_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. | |
Graph * | d_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. | |
Table * | d_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. | |
Table * | d_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 |
MultiPeakFit::MultiPeakFit | ( | ApplicationWindow * | parent, |
QwtPlotCurve * | c, | ||
PeakProfile | profile = Gauss , |
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int | peaks = 1 |
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References Fit::init().
MultiPeakFit::MultiPeakFit | ( | ApplicationWindow * | parent, |
Graph * | g = 0 , |
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PeakProfile | profile = Gauss , |
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int | peaks = 1 |
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References Fit::init().
MultiPeakFit::MultiPeakFit | ( | ApplicationWindow * | parent, |
Table * | t, | ||
const QString & | xCol, | ||
const QString & | yCol, | ||
int | startRow = 0 , |
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int | endRow = -1 , |
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PeakProfile | profile = Gauss , |
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int | peaks = 1 |
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References Fit::init().
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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().
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inline |
References generate_peak_curves.
Referenced by FitDialog::initBuiltInFunctions(), and MultiPeakFitTool::MultiPeakFitTool().
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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 | ||
) |
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static |
References peaks().
Referenced by setNumPeaks().
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privatevirtual |
Adds the result curve to the plot.
Reimplemented from Fit.
References Graph::addFitCurve(), Filter::createOutputGraph(), customizeFitResults(), Filter::d_curve, Filter::d_curveColor, Filter::d_explanation, Fit::d_gen_function, Filter::d_graphics_display, Filter::d_n, Filter::d_output_graph, Fit::d_p, d_peaks, d_peaks_color, Filter::d_points, Filter::d_prec, d_profile, Filter::d_result_table, Fit::d_results, Filter::d_x, Filter::d_y_col_name, Gauss, generate_peak_curves, ApplicationWindow::generateUniqueName(), Fit::insertFitFunctionCurve(), insertPeakFunctionCurve(), Graph::insertPlotItem(), Graph::Line, Filter::memoryErrorMessage(), ApplicationWindow::newHiddenTable(), Table::setHeader(), and Table::setText().
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References Fit::formula(), Gauss, Lorentz, peakFormula(), and peaks().
Referenced by setNumPeaks().
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References peaks().
Referenced by setNumPeaks().
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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.
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private |
References Fit::d_df, Fit::d_f, Fit::d_fdf, Fit::d_fsimplex, d_peaks_color, d_profile, Gauss, gauss_multi_peak_d(), gauss_multi_peak_df(), gauss_multi_peak_f(), gauss_multi_peak_fdf(), generate_peak_curves, lorentz_multi_peak_d(), lorentz_multi_peak_df(), lorentz_multi_peak_f(), lorentz_multi_peak_fdf(), and setNumPeaks().
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private |
Inserts a peak function curve into the plot.
References Graph::addFitCurve(), Graph::curveNamesList(), Filter::d_curve, Filter::d_from, Filter::d_output_graph, Fit::d_p, Fit::d_param_names, d_peaks_color, Filter::d_points, d_profile, Fit::d_results, Filter::d_to, Graph::insertPlotItem(), Graph::Line, FunctionCurve::loadData(), FunctionCurve::Normal, peakFormula(), FunctionCurve::setConstant(), FunctionCurve::setFormula(), and FunctionCurve::setRange().
Referenced by generateFitCurve().
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privatevirtual |
Output string added to the result log.
Reimplemented from Fit.
References d_peaks, Filter::d_prec, d_profile, Fit::d_results, and Lorentz.
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staticprivate |
References Fit::formula(), Gauss, and Lorentz.
Referenced by generateFormula(), and insertPeakFunctionCurve().
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inline |
References d_peaks.
Referenced by generateExplanationList(), generateFormula(), and generateParameterList().
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inline |
References d_profile.
void MultiPeakFit::setNumPeaks | ( | int | n | ) |
References Filter::d_explanation, Fit::d_formula, Fit::d_p, Fit::d_param_explain, Fit::d_param_names, d_peaks, d_profile, Fit::freeWorkspace(), Gauss, generateExplanationList(), generateFormula(), generateParameterList(), and Fit::initWorkspace().
Referenced by init().
void MultiPeakFit::setPeakCurvesColor | ( | int | colorIndex | ) |
References d_peaks_color, and ColorBox::defaultColor().
Referenced by FitDialog::initBuiltInFunctions(), and MultiPeakFitTool::MultiPeakFitTool().
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inline |
References d_peaks_color.
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private |
Number of peaks.
Referenced by customizeFitResults(), eval(), generateFitCurve(), guessInitialValues(), logFitInfo(), peaks(), and setNumPeaks().
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Color for the peak curves.
Referenced by generateFitCurve(), init(), insertPeakFunctionCurve(), and setPeakCurvesColor().
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private |
The peak profile.
Referenced by evalPeak(), generateFitCurve(), guessInitialValues(), init(), insertPeakFunctionCurve(), logFitInfo(), profile(), and setNumPeaks().
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private |
Tells weather the peak curves should be displayed together with the best line fit.
Referenced by enablePeakCurves(), generateFitCurve(), and init().