OptimizePick.h File Reference

#include <OpenMS/TRANSFORMATIONS/RAW2PEAK/PeakShape.h>
#include <OpenMS/KERNEL/Peak1D.h>
#include <gsl/gsl_vector.h>
#include <gsl/gsl_multifit_nlin.h>
#include <gsl/gsl_blas.h>
#include <iostream>
#include <fstream>
#include <vector>

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Classes
struct	PenaltyFactors
	Class for the penalty factors used during the optimization. More...
class	OptimizePick
	This class provides the non-linear optimization of the peak parameters. More...
struct	OptimizePick::Data
Namespaces
namespace	OpenMS
	Main OpenMS namespace.
namespace	OpenMS::OptimizationFunctions
	Namespace for all functions and classes needed for the gsl levenberg-marquard algorithm.
Typedefs
typedef std::vector< Peak1D >	RawDataVector
	Raw data vector type.
typedef RawDataVector::iterator	PeakIterator
	Raw data iterator type.
Functions
int	residual (const gsl_vector *x, void *params, gsl_vector *f)
	Evaluation of the target function for nonlinear optimization.
int	jacobian (const gsl_vector *x, void *params, gsl_matrix *J)
	Compute the Jacobian of the residual, where each row of the matrix corresponds to a point in the data.
int	evaluate (const gsl_vector *x, void *params, gsl_vector *f, gsl_matrix *J)
	Driver function for the evaluation of function and jacobian.
void	printSignal (const gsl_vector *x, void *param, float resolution=0.25)
	Print all peak shapes.