#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 |