35 #ifndef OPENMS_SIMULATION_RTSIMULATION_H 36 #define OPENMS_SIMULATION_RTSIMULATION_H 96 bool isRTColumnOn()
const;
99 void wrapSVM(std::vector<AASequence>& peptide_sequences, std::vector<double>& predicted_retention_times);
108 void setDefaultParams_();
163 void updateMembers_();
A more convenient string class.
Definition: String.h:57
OpenMS::String rt_model_file_
Definition: RTSimulation.h:133
A container for features.
Definition: FeatureMap.h:94
SimTypes::MutableSimRandomNumberGeneratorPtr rnd_gen_
Random number generator.
Definition: RTSimulation.h:160
boost::shared_ptr< SimRandomNumberGenerator > MutableSimRandomNumberGeneratorPtr
Definition: SimTypes.h:175
double egh_variance_scale_
EGH sigma scale parameter of the lorentzian variation.
Definition: RTSimulation.h:156
Simulates/Predicts retention times for peptides or peptide separation.
Definition: RTSimulation.h:55
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:47
SimTypes::SimCoordinateType gradient_min_
gradient ranges
Definition: RTSimulation.h:141
double egh_tau_location_
EGH tau value.
Definition: RTSimulation.h:149
double egh_variance_location_
EGH sigma value.
Definition: RTSimulation.h:154
SimTypes::SimCoordinateType rt_sampling_rate_
bin size in rt dimension
Definition: RTSimulation.h:146
SimTypes::SimCoordinateType gradient_max_
Maximal observed gradient time.
Definition: RTSimulation.h:143
SimTypes::SimCoordinateType total_gradient_time_
Total gradient time.
Definition: RTSimulation.h:136
In-Memory representation of a mass spectrometry experiment.
Definition: MSExperiment.h:82
double egh_tau_scale_
EGH tau scale parameter of the lorentzian variation.
Definition: RTSimulation.h:151
A base class for all classes handling default parameters.
Definition: DefaultParamHandler.h:92
Map class based on the STL map (containing several convenience functions)
Definition: Map.h:51