OpenMS
2.5.0
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This class provides the non-linear optimization of the peak parameters. More...
#include <OpenMS/TRANSFORMATIONS/RAW2PEAK/OptimizePick.h>
Classes | |
struct | Data |
class | OptPeakFunctor |
Public Types | |
typedef std::vector< Peak1D > | RawDataVector |
Profile data vector type. More... | |
typedef RawDataVector::iterator | PeakIterator |
Profile data iterator type. More... | |
Public Member Functions | |
OptimizePick () | |
Constructor. More... | |
OptimizePick (const struct OptimizationFunctions::PenaltyFactors &penalties_, const int max_iteration_) | |
Constructor to set the penalty factors, the number of optimization iterations as well as the threshold for the absolute and the relative error. More... | |
~OptimizePick () | |
Destructor. More... | |
const struct OptimizationFunctions::PenaltyFactors & | getPenalties () const |
Non-mutable access to the penalty factors. More... | |
struct OptimizationFunctions::PenaltyFactors & | getPenalties () |
Mutable access to the penalty factors. More... | |
void | setPenalties (const struct OptimizationFunctions::PenaltyFactors &penalties) |
Mutable access to the penalty factors. More... | |
UInt | getNumberIterations () const |
Non-mutable access to the number of iterations. More... | |
unsigned int & | getNumberIterations () |
Mutable access to the number of iterations. More... | |
void | setNumberIterations (const int max_iteration) |
Mutable access to the number of iterations. More... | |
void | optimize (std::vector< PeakShape > &peaks, Data &data) |
Start the optimization of the peak shapes peaks. The original peak shapes will be substituted by the optimized peak shapes. More... | |
Protected Attributes | |
struct OptimizationFunctions::PenaltyFactors | penalties_ |
Penalty factors. More... | |
unsigned int | max_iteration_ |
Maximum number of iterations during optimization. More... | |
This class provides the non-linear optimization of the peak parameters.
Given a vector of peak shapes, this class optimizes all peak shapes parameters using a non-linear optimization. For the non-linear optimization we use the Levenberg-Marquardt algorithm provided by the Eigen.
struct OpenMS::OptimizePick::Data |
typedef RawDataVector::iterator PeakIterator |
Profile data iterator type.
typedef std::vector<Peak1D> RawDataVector |
Profile data vector type.
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inline |
Constructor.
OptimizePick | ( | const struct OptimizationFunctions::PenaltyFactors & | penalties_, |
const int | max_iteration_ | ||
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Constructor to set the penalty factors, the number of optimization iterations as well as the threshold for the absolute and the relative error.
~OptimizePick | ( | ) |
Destructor.
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Mutable access to the number of iterations.
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Non-mutable access to the number of iterations.
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inline |
Mutable access to the penalty factors.
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inline |
Non-mutable access to the penalty factors.
Start the optimization of the peak shapes peaks. The original peak shapes will be substituted by the optimized peak shapes.
Referenced by TwoDOptimization::optimizeRegionsScanwise_().
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inline |
Mutable access to the number of iterations.
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inline |
Mutable access to the penalty factors.
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protected |
Maximum number of iterations during optimization.
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Penalty factors.