#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 |