35 #ifndef OPENMS_SIMULATION_RAWMSSIGNALSIMULATION_H
36 #define OPENMS_SIMULATION_RAWMSSIGNALSIMULATION_H
85 void loadContaminants();
101 void updateMembers_();
104 void setDefaultParams_();
238 std::vector<SimCoordinateType>
grid_;
266 static const Size THREADED_RANDOM_NUMBER_POOL_SIZE_ = 500;
A more convenient string class.
Definition: String.h:56
IONIZATIONMETHOD
Definition: RawMSSignalSimulation.h:92
RESOLUTIONMODEL res_model_
model of how resolution behaves with increasing m/z
Definition: RawMSSignalSimulation.h:234
Isotope distribution approximated using linear interpolation.
Definition: IsotopeModel.h:59
A container for features.
Definition: FeatureMap.h:111
Definition: RawMSSignalSimulation.h:93
std::vector< std::vector< double > > threaded_random_numbers_
Definition: RawMSSignalSimulation.h:258
RESOLUTIONMODEL
Definition: RawMSSignalSimulation.h:94
The class template is only implemented for D=2 because we use Peak2D here.
Definition: ProductModel.h:65
std::vector< SimCoordinateType > grid_
m/z sampling grid for all signals
Definition: RawMSSignalSimulation.h:238
std::vector< ContaminantInfo > contaminants_
Definition: RawMSSignalSimulation.h:253
Definition: RawMSSignalSimulation.h:243
SimCoordinateType mz_error_mean_
Mean of peak m/z error.
Definition: RawMSSignalSimulation.h:194
DoubleReal res_base_
base resolution at 400 Th
Definition: RawMSSignalSimulation.h:236
Int sampling_points_per_FWHM_
number of points sampled per peak's FWHM
Definition: RawMSSignalSimulation.h:191
IONIZATIONMETHOD im
Definition: RawMSSignalSimulation.h:250
Int q
Definition: RawMSSignalSimulation.h:248
EmpiricalFormula sf
Definition: RawMSSignalSimulation.h:246
PROFILESHAPE
Definition: RawMSSignalSimulation.h:93
Exponential-Gaussian hybrid distribution model for elution profiles.
Definition: EGHModel.h:56
SimRandomNumberGenerator const * rnd_gen_
Random number generator.
Definition: RawMSSignalSimulation.h:241
An LC-MS feature.
Definition: Feature.h:66
SimCoordinateType mz_error_stddev_
Standard deviation of peak m/z error.
Definition: RawMSSignalSimulation.h:196
bool contaminants_loaded_
Definition: RawMSSignalSimulation.h:268
Wrapper class for random number generators used by the simulation classes.
Definition: SimTypes.h:99
Peak2D::IntensityType SimIntensityType
Abundance of proteins/peptides.
Definition: SimTypes.h:62
Simulates MS signals for a given set of peptides.
Definition: RawMSSignalSimulation.h:61
DoubleReal rt_start
Definition: RawMSSignalSimulation.h:247
PROFILESHAPE shape
Definition: RawMSSignalSimulation.h:249
size_t Size
Size type e.g. used as variable which can hold result of size()
Definition: Types.h:144
Base class for all classes that want to report their progess.
Definition: ProgressLogger.h:56
String name
Definition: RawMSSignalSimulation.h:245
A base class for all classes handling default parameters.
Definition: DefaultParamHandler.h:90
SimIntensityType intensity_scale_
Scaling factor of peak intensities.
Definition: RawMSSignalSimulation.h:228
int Int
Signed integer type.
Definition: Types.h:100
SimIntensityType intensity_scale_stddev_
Standard deviation of peak intensity scaling.
Definition: RawMSSignalSimulation.h:230
std::vector< Size > threaded_random_numbers_index_
Definition: RawMSSignalSimulation.h:264