108 class CompareCmpByEF_;
117 inline bool isFeatureValid_(
const Feature& feature);
120 void setFeatureProperties_(
Feature& f,
121 const double& adduct_mass,
122 const String& adduct_formula,
125 const Size parent_index);
128 void setDefaultParams_();
131 void updateMembers_()
override;
SimTypes::SimCoordinateType maximal_mz_measurement_limit_
Maximum m/z detected by mass analyser.
Definition: IonizationSimulation.h:178
SimTypes::MutableSimRandomNumberGeneratorPtr rnd_gen_
Random number generator.
Definition: IonizationSimulation.h:184
A more convenient string class.
Definition: String.h:57
Simulates Protein ionization.
Definition: IonizationSimulation.h:63
double esi_probability_
Probability for the binomial distribution of ESI charge states.
Definition: IonizationSimulation.h:154
A container for features.
Definition: FeatureMap.h:93
unsigned int UInt
Unsigned integer type.
Definition: Types.h:94
IonizationType
possible ionization methods
Definition: IonizationSimulation.h:70
boost::shared_ptr< SimRandomNumberGenerator > MutableSimRandomNumberGeneratorPtr
Definition: SimTypes.h:174
A container for consensus elements.
Definition: ConsensusMap.h:75
Representation of a peptide/protein sequence.
Definition: AASequence.h:107
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:46
SimTypes::SimCoordinateType minimal_mz_measurement_limit_
Minimum m/z detected by mass analyser.
Definition: IonizationSimulation.h:180
std::vector< Adduct > AdductsType
Definition: Adduct.h:48
Size max_adduct_charge_
Maximal charge that any impure adduct from parameter list has.
Definition: IonizationSimulation.h:170
std::vector< double > esi_impurity_probabilities_
Discrete distribution of impure charge adducts like Na+, K+, Ca++ etc besides the usual H+...
Definition: IonizationSimulation.h:159
std::set< String > basic_residues_
Definition: IonizationSimulation.h:149
Adduct::AdductsType esi_adducts_
Corresponding table to esi_impurity_probabilities_ holding the actual element and its charge...
Definition: IonizationSimulation.h:165
std::vector< double > maldi_probabilities_
Preprocessed table of discrete distribution (MALDI charges)
Definition: IonizationSimulation.h:175
An LC-MS feature.
Definition: Feature.h:70
IonizationType ionization_type_
ESI or MALDI ionization.
Definition: IonizationSimulation.h:144
Feature::ChargeType SimChargeType
Charge of a peptide.
Definition: SimTypes.h:65
In-Memory representation of a mass spectrometry experiment.
Definition: MSExperiment.h:77
size_t Size
Size type e.g. used as variable which can hold result of size()
Definition: Types.h:127
Base class for all classes that want to report their progress.
Definition: ProgressLogger.h:54
A base class for all classes handling default parameters.
Definition: DefaultParamHandler.h:91
Definition: IonizationSimulation.h:72