This class provides the non-linear optimization of the peak parameters. More...
#include <OpenMS/TRANSFORMATIONS/RAW2PEAK/OptimizePick.h>
| Classes | |
| struct | Data | 
| Public Types | |
| typedef std::vector< Peak1D > | RawDataVector | 
| Raw data vector type.  More... | |
| typedef RawDataVector::iterator | PeakIterator | 
| Raw data iterator type.  More... | |
| Public Member Functions | |
| OptimizePick () | |
| Constructor.  More... | |
| OptimizePick (const struct OptimizationFunctions::PenaltyFactors &penalties_, const int max_iteration_, const double eps_abs_, const double eps_rel_) | |
| 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... | |
| 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... | |
| DoubleReal | getMaxAbsError () const | 
| Non-mutable access to the maximum absolute error.  More... | |
| double & | getMaxAbsError () | 
| Mutable access to the maximum absolute error.  More... | |
| void | setMaxAbsError (double eps_abs) | 
| Mutable access to the maximum absolute error.  More... | |
| DoubleReal | getMaxRelError () const | 
| Non-mutable access to the maximum relative error.  More... | |
| double & | getMaxRelError () | 
| Mutable access to the maximum relative error.  More... | |
| void | setMaxRelError (double eps_rel) | 
| Mutable access to the maximum relative error.  More... | |
| void | optimize (std::vector< PeakShape > &peaks, Data &data) | 
| Start the optimization of the peak shapes peaks. The original peak shapes will be subsituted 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... | |
| double | eps_abs_ | 
| Maximum absolute and relative error used in the optimization.  More... | |
| double | eps_rel_ | 
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 gsl.
| typedef RawDataVector::iterator PeakIterator | 
Raw data iterator type.
| typedef std::vector<Peak1D> RawDataVector | 
Raw data vector type.
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 | inline | 
Constructor.
| OptimizePick | ( | const struct OptimizationFunctions::PenaltyFactors & | penalties_, | 
| const int | max_iteration_, | ||
| const double | eps_abs_, | ||
| const double | eps_rel_ | ||
| ) | 
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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 | inline | 
Non-mutable access to the maximum absolute error.
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 | inline | 
Mutable access to the maximum absolute error.
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Non-mutable access to the maximum relative error.
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Mutable access to the maximum relative error.
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Non-mutable access to the number of iterations.
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 | inline | 
Mutable access to the number of iterations.
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Non-mutable access to the penalty factors.
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 | inline | 
Mutable access to the penalty factors.
Start the optimization of the peak shapes peaks. The original peak shapes will be subsituted by the optimized peak shapes.
Referenced by TwoDOptimization::optimizeRegionsScanwise_().
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 | inline | 
Mutable access to the maximum absolute error.
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Mutable access to the maximum relative error.
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Mutable access to the number of iterations.
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 | inline | 
Mutable access to the penalty factors.
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 | protected | 
Maximum absolute and relative error used in the optimization.
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 | protected | 
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Maximum number of iterations during optimization.
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 | protected | 
Penalty factors.
| OpenMS / TOPP release 1.11.1 | Documentation generated on Thu Nov 14 2013 11:19:35 using doxygen 1.8.5 |