OpenMS
SvmTheoreticalSpectrumGeneratorSet Class Reference

Loads SvmTheoreticalSpectrumGenerator instances for different charges. More...

#include <OpenMS/CHEMISTRY/SvmTheoreticalSpectrumGeneratorSet.h>

Collaboration diagram for SvmTheoreticalSpectrumGeneratorSet:
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Constructors and Destructors

std::map< Size, SvmTheoreticalSpectrumGeneratorsimulators_
 
 SvmTheoreticalSpectrumGeneratorSet ()
 Default constructor. More...
 
 SvmTheoreticalSpectrumGeneratorSet (const SvmTheoreticalSpectrumGeneratorSet &source)
 Copy constructor. More...
 
virtual ~SvmTheoreticalSpectrumGeneratorSet ()
 Destructor. More...
 
SvmTheoreticalSpectrumGeneratorSetoperator= (const SvmTheoreticalSpectrumGeneratorSet &tsg)
 Assignment operator. More...
 
void simulate (PeakSpectrum &spectrum, const AASequence &peptide, boost::random::mt19937_64 &rng, Size precursor_charge)
 Generate the MS/MS according to the model for the given precursor_charge. More...
 
void load (String)
 Load a trained Svm and Prob. models. More...
 
void getSupportedCharges (std::set< Size > &charges)
 Return precursor charges for which a model is contained in the set. More...
 
SvmTheoreticalSpectrumGeneratorgetSvmModel (Size)
 return a modifiable reference to the SVM model with given charge. If charge is not supported throw exception More...
 

Detailed Description

Loads SvmTheoreticalSpectrumGenerator instances for different charges.

The input file contains pairs of charge and svm models separated by a ":" (see share/OpenMS/SIMULATION/SvmModelSet.model)

Actually only a test model is shipped with OpenMS.
Please find trained models at: http://sourceforge.net/projects/open-ms/files/Supplementary/Simulation/.

Constructor & Destructor Documentation

◆ SvmTheoreticalSpectrumGeneratorSet() [1/2]

Default constructor.

◆ SvmTheoreticalSpectrumGeneratorSet() [2/2]

◆ ~SvmTheoreticalSpectrumGeneratorSet()

virtual ~SvmTheoreticalSpectrumGeneratorSet ( )
virtual

Destructor.

Member Function Documentation

◆ getSupportedCharges()

void getSupportedCharges ( std::set< Size > &  charges)

Return precursor charges for which a model is contained in the set.

◆ getSvmModel()

return a modifiable reference to the SVM model with given charge. If charge is not supported throw exception

◆ load()

void load ( String  )

Load a trained Svm and Prob. models.

◆ operator=()

Assignment operator.

◆ simulate()

void simulate ( PeakSpectrum spectrum,
const AASequence peptide,
boost::random::mt19937_64 &  rng,
Size  precursor_charge 
)

Generate the MS/MS according to the model for the given precursor_charge.

Member Data Documentation

◆ simulators_

std::map<Size, SvmTheoreticalSpectrumGenerator> simulators_
protected