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TwoDOptimization.h File Reference

(Maintainer: Alexandra Zerck)

#include <vector>
#include <utility>
#include <cmath>
#include <set>
#include <OpenMS/TRANSFORMATIONS/RAW2PEAK/PeakShape.h>
#include <OpenMS/KERNEL/PickedPeak1D.h>
#include <OpenMS/KERNEL/MSExperiment.h>
#include <OpenMS/KERNEL/MSSpectrum.h>
#include <OpenMS/KERNEL/DPeak.h>
#include <OpenMS/CONCEPT/Exception.h>
#include <OpenMS/DATASTRUCTURES/Param.h>
#include <OpenMS/DATASTRUCTURES/IsotopeCluster.h>
#include <OpenMS/DATASTRUCTURES/DefaultParamHandler.h>
#include <OpenMS/SYSTEM/StopWatch.h>
#include <gsl/gsl_vector.h>
#include <gsl/gsl_multifit_nlin.h>
#include <gsl/gsl_blas.h>
#include <OpenMS/TRANSFORMATIONS/RAW2PEAK/OptimizePeakDeconvolution.h>
#include <OpenMS/TRANSFORMATIONS/RAW2PEAK/OptimizePick.h>

Go to the source code of this file.

Namespaces

namespace  OpenMS
namespace  OpenMS::OptimizationFunctions

Classes

class  TwoDOptimization
 This class provides the two-dimensional optimization of the picked peak parameters. More...
struct  TwoDOptimization::IndexLess
 Comparator for the retention time. More...

Typedefs

typedef std::pair< unsigned
int, unsigned int > 
Idx
typedef std::set< Idx > IndexSet
typedef RawDataPoint1D RawDataPointType
 Raw data point type.
typedef MSExperiment
< PickedPeak1D > 
ExperimentPickedType
 MSExperiment with picked peaks.

Functions

Functions provided to the gsl Levenberg-Marquardt
int residual2D (const gsl_vector *x, void *params, gsl_vector *f)
 Function computing estimated signal and its deviation to the experimental signal*/.
int jacobian2D (const gsl_vector *x, void *params, gsl_matrix *J)
 Function computing the Jacobian */.
int evaluate2D (const gsl_vector *x, void *params, gsl_vector *f, gsl_matrix *J)
 Function that calls residual2D and jacobian2D*/.

Variables

std::vector< std::pair< int,
int > > 
signal2D
std::multimap< double,
IsotopeCluster >::iterator 
iso_map_iter
unsigned int total_nr_peaks
std::map< int, std::vector
< ExperimentPickedType::SpectrumType::Iterator > > 
matching_peaks
MSExperiment< PickedPeak1D >
::Iterator 
picked_peaks_iter
MSExperiment< RawDataPointType >
::ConstIterator 
raw_data_first


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