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OptimizePick.h File Reference

(Maintainer: Eva Lange)

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

Go to the source code of this file.

Namespaces

namespace  OpenMS
namespace  OpenMS::OptimizationFunctions

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 paramters. More...

Typedefs

typedef std::vector
< DRawDataPoint< 1 > > 
RawDataVector
 Raw data vector type.
typedef RawDataVector::iterator RawDataPointIterator
 Raw data iterator type.

Functions

int residual (const gsl_vector *x, void *, gsl_vector *f)
 Evaluation of the target function for nonlinear optimization.
int jacobian (const gsl_vector *x, void *, 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, float resolution=0.25)
 Print all peak shapes.

Variables

std::vector< double > positions_
 Positions and intensity values of the raw data.
std::vector< double > signal_
std::vector< PeakShape > peaks_
 This container contains the peak shapes to be optimized.


Generated Tue Apr 1 15:36:39 2008 -- using doxygen 1.5.4 OpenMS / TOPP 1.1