35 #ifndef OPENMS_SIMULATION_RTSIMULATION_H
36 #define OPENMS_SIMULATION_RTSIMULATION_H
92 bool isRTColumnOn()
const;
95 void wrapSVM(std::vector<AASequence> & peptide_sequences, std::vector<DoubleReal> & predicted_retention_times);
107 void setDefaultParams_();
122 void calculateMT_(
FeatureMapSim & features, std::vector<DoubleReal> & predicted_retention_times);
162 void updateMembers_();
SimRandomNumberGenerator const * rnd_gen_
Random number generator.
Definition: RTSimulation.h:159
A more convenient string class.
Definition: String.h:56
OpenMS::String rt_model_file_
Definition: RTSimulation.h:132
SimCoordinateType gradient_max_
Maximal observed gradient time.
Definition: RTSimulation.h:142
A container for features.
Definition: FeatureMap.h:111
Simulates/Predicts retention times for peptides or peptide separation.
Definition: RTSimulation.h:55
SimCoordinateType gradient_min_
gradient ranges
Definition: RTSimulation.h:140
DoubleReal egh_variance_scale_
EGH sigma scale parameter of the lorentzian variation.
Definition: RTSimulation.h:155
SimCoordinateType rt_sampling_rate_
bin size in rt dimension
Definition: RTSimulation.h:145
Wrapper class for random number generators used by the simulation classes.
Definition: SimTypes.h:99
DoubleReal egh_variance_location_
EGH sigma value.
Definition: RTSimulation.h:153
DoubleReal egh_tau_location_
EGH tau value.
Definition: RTSimulation.h:148
A base class for all classes handling default parameters.
Definition: DefaultParamHandler.h:90
Map class based on the STL map (containing serveral convenience functions)
Definition: Map.h:50
DoubleReal egh_tau_scale_
EGH tau scale parameter of the lorentzian variation.
Definition: RTSimulation.h:150
SimCoordinateType total_gradient_time_
Total gradient time.
Definition: RTSimulation.h:135