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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

 OpenMS
 Main OpenMS 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. More...
 
typedef RawDataVector::iterator PeakIterator
 Raw data iterator type. More...
 

Functions

int residual (const gsl_vector *x, void *params, gsl_vector *f)
 Evaluation of the target function for nonlinear optimization. More...
 
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. More...
 
int evaluate (const gsl_vector *x, void *params, gsl_vector *f, gsl_matrix *J)
 Driver function for the evaluation of function and jacobian. More...
 
void printSignal (const gsl_vector *x, void *param, float resolution=0.25)
 Print all peak shapes. More...
 

OpenMS / TOPP release 1.11.1 Documentation generated on Thu Nov 14 2013 11:19:23 using doxygen 1.8.5