OpenMS
2.8.0

This class provides the nonlinear 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 
Nonmutable 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 
Nonmutable 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 nonlinear optimization of the peak parameters.
Given a vector of peak shapes, this class optimizes all peak shapes parameters using a nonlinear optimization. For the nonlinear optimization we use the LevenbergMarquardt 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.

inline 
Constructor.
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.
~OptimizePick  (  ) 
Destructor.

inline 
Mutable access to the number of iterations.

inline 
Nonmutable access to the number of iterations.

inline 
Mutable access to the penalty factors.

inline 
Nonmutable 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.

inline 
Mutable access to the number of iterations.

inline 
Mutable access to the penalty factors.

protected 
Maximum number of iterations during optimization.

protected 
Penalty factors.