We have to use function pointers for the gsl and can't put them into a class, so we provide an extra namespace.
Classes | |
struct | PenaltyFactorsIntensity |
Class for the penalty factors used during the optimization. More... | |
struct | PenaltyFactors |
Class for the penalty factors used during the optimization. More... | |
Typedefs | |
typedef std::vector < DRawDataPoint< 1 > > | RawDataVector |
Raw data vector type. | |
typedef RawDataVector::iterator | RawDataPointIterator |
Raw data iterator type. | |
typedef RawDataPoint1D | RawDataPointType |
Raw data point type. | |
typedef MSExperiment < PickedPeak1D > | ExperimentPickedType |
MSExperiment with picked peaks. | |
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. | |
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< PeakShape > | peaks_DC_ |
std::vector< double > | positions_DC_ |
std::vector< double > | signal_DC_ |
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. | |
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 |
typedef MSExperiment<PickedPeak1D > ExperimentPickedType |
MSExperiment with picked peaks.
typedef RawDataVector::iterator RawDataPointIterator |
Raw data iterator type.
typedef RawDataPoint1D RawDataPointType |
Raw data point type.
typedef std::vector<DRawDataPoint<1> > RawDataVector |
Raw data vector type.
int OpenMS::OptimizationFunctions::evaluate | ( | const gsl_vector * | x, | |
void * | params, | |||
gsl_vector * | f, | |||
gsl_matrix * | J | |||
) |
Driver function for the evaluation of function and jacobian.
int OpenMS::OptimizationFunctions::evaluate2D | ( | const gsl_vector * | x, | |
void * | params, | |||
gsl_vector * | f, | |||
gsl_matrix * | J | |||
) |
Function that calls residual2D and jacobian2D*/.
int OpenMS::OptimizationFunctions::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 OpenMS::OptimizationFunctions::jacobian2D | ( | const gsl_vector * | x, | |
void * | params, | |||
gsl_matrix * | J | |||
) |
Function computing the Jacobian */.
void OpenMS::OptimizationFunctions::printSignal | ( | const gsl_vector * | x, | |
float | resolution = 0.25 | |||
) |
Print all peak shapes.
int OpenMS::OptimizationFunctions::residual | ( | const gsl_vector * | x, | |
void * | , | |||
gsl_vector * | f | |||
) |
Evaluation of the target function for nonlinear optimization.
int OpenMS::OptimizationFunctions::residual2D | ( | const gsl_vector * | x, | |
void * | params, | |||
gsl_vector * | f | |||
) |
Function computing estimated signal and its deviation to the experimental signal*/.
std::multimap<double,IsotopeCluster>::iterator iso_map_iter |
std::map<int, std::vector<ExperimentPickedType::SpectrumType::Iterator > > matching_peaks |
MSExperiment<PickedPeak1D>::Iterator picked_peaks_iter |
std::vector<double> positions_ |
Positions and intensity values of the raw data.
std::vector<double> positions_DC_ |
MSExperiment<RawDataPointType>::ConstIterator raw_data_first |
std::vector<std::pair<int,int> > signal2D |
std::vector<double> signal_ |
std::vector<double> signal_DC_ |
unsigned int total_nr_peaks |
Generated Tue Apr 1 15:36:50 2008 -- using doxygen 1.5.4 | OpenMS / TOPP 1.1 |