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