35 #ifndef OPENMS_TRANSFORMATIONS_FEATUREFINDER_MULTIPLEXDELTAMASSESGENERATOR_H 36 #define OPENMS_TRANSFORMATIONS_FEATUREFINDER_MULTIPLEXDELTAMASSESGENERATOR_H 98 void generateKnockoutDeltaMasses();
107 void printSamplesLabelsList()
const;
119 void printDeltaMassesList()
const;
124 std::vector<MultiplexDeltaMasses> getDeltaMassesList();
129 const std::vector<MultiplexDeltaMasses>& getDeltaMassesList()
const;
138 std::vector<std::vector<String> > getSamplesLabelsList();
147 const std::vector<std::vector<String> >& getSamplesLabelsList()
const;
226 void fillLabelMasterList_();
std::vector< std::vector< String > > samples_labels_
list of samples with their corresponding labels
Definition: MultiplexDeltaMassesGenerator.h:188
A more convenient string class.
Definition: String.h:57
std::vector< String > labels_list_
flat list of all occurring isotopic labels
Definition: MultiplexDeltaMassesGenerator.h:183
int missed_cleavages_
maximum number of missed cleavages
Definition: MultiplexDeltaMassesGenerator.h:193
String short_name
Definition: MultiplexDeltaMassesGenerator.h:70
std::vector< Label > label_master_list_
master list of all labels
Definition: MultiplexDeltaMassesGenerator.h:203
Representation of a peptide/protein sequence.
Definition: AASequence.h:108
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:47
std::map< String, String > label_short_long_
mapping from a short label (as in the user params) to a long label (as in PSI-MS name) e...
Definition: MultiplexDeltaMassesGenerator.h:215
String labels_
isotopic labels
Definition: MultiplexDeltaMassesGenerator.h:178
String description
Definition: MultiplexDeltaMassesGenerator.h:72
std::multiset< String > LabelSet
set of labels associated with a mass shift
Definition: MultiplexDeltaMasses.h:74
std::map< String, double > label_delta_mass_
mapping from single label to delta mass e.g. "Arg10" -> 10.0082686
Definition: MultiplexDeltaMassesGenerator.h:209
std::vector< MultiplexDeltaMasses > delta_masses_list_
list of all possible mass shift patterns
Definition: MultiplexDeltaMassesGenerator.h:198
generates complete list of all possible mass shifts due to isotopic labelling
Definition: MultiplexDeltaMassesGenerator.h:60
String long_name
Definition: MultiplexDeltaMassesGenerator.h:71
A base class for all classes handling default parameters.
Definition: DefaultParamHandler.h:92
complete label information
Definition: MultiplexDeltaMassesGenerator.h:68
std::map< String, String > label_long_short_
mapping from a long label (as in PSI-MS name) to a short label (as in the user params) e...
Definition: MultiplexDeltaMassesGenerator.h:221
double delta_mass
Definition: MultiplexDeltaMassesGenerator.h:73