104 void updateMembers_()
override;
121 void checkSolution_(
const ConsensusMap& cons_map)
const;
127 void inferMoreEdges_(PairsType& edges,
Map<
Size, std::set<CmpInfo_> >& feature_adducts);
129 void candidateEdges_(FeatureMapType& fm_out,
const Adduct& default_adduct, PairsType& feature_relation,
Map<
Size, std::set<CmpInfo_> >& feature_adducts);
131 void annotate_feature_(FeatureMapType& fm_out,
Adduct& default_adduct,
Compomer&
c,
const Size f_idx,
const UInt side,
const Int new_q,
const Int old_q);
134 void printEdgesOfConnectedFeatures_(
Size idx_1,
Size idx_2,
const PairsType& feature_relation);
142 inline bool intensityFilterPassed_(
const Int q1,
const Int q2,
const Compomer& cmp,
const FeatureType& f1,
const FeatureType& f2);
150 bool chargeTestworthy_(
const Int feature_charge,
const Int putative_charge,
const bool other_unchanged)
const;
bool enable_intensity_filter_
status of intensity filter for edges
Definition: MetaboliteFeatureDeconvolution.h:159
Adduct::AdductsType AdductsType
Definition: MassExplainer.h:60
Map< Size, String > map_label_
labeling table
Definition: MetaboliteFeatureDeconvolution.h:155
An LC-MS feature.
Definition: Feature.h:70
FeatureMapType::FeatureType::CoordinateType CoordinateType
Definition: MetaboliteFeatureDeconvolution.h:69
Map< String, Size > map_label_inverse_
labeling table inverse
Definition: MetaboliteFeatureDeconvolution.h:157
size_t Size
Size type e.g. used as variable which can hold result of size()
Definition: Types.h:127
Feature FeatureType
Definition: MetaboliteFeatureDeconvolution.h:67
An algorithm to decharge small molecule features (i.e. as found by FeatureFinder).
Definition: MetaboliteFeatureDeconvolution.h:59
CHARGEMODE
Definition: MetaboliteFeatureDeconvolution.h:64
A container for features.
Definition: FeatureMap.h:95
MassExplainer::AdductsType potential_adducts_
List of adducts used to explain mass differences.
Definition: MetaboliteFeatureDeconvolution.h:153
CHARGEMODE q_try_
status of charge discovery
Definition: MetaboliteFeatureDeconvolution.h:163
FeatureMap FeatureMapType
Definition: MetaboliteFeatureDeconvolution.h:66
unsigned int UInt
Unsigned integer type.
Definition: Types.h:94
Map class based on the STL map (containing several convenience functions)
Definition: Map.h:50
bool negative_mode_
status of ionization mode
Definition: MetaboliteFeatureDeconvolution.h:161
Int verbose_level_
amount of debug information displayed
Definition: MetaboliteFeatureDeconvolution.h:165
std::vector< ChargePair > PairsType
Definition: ILPDCWrapper.h:55
Definition: MetaboliteFeatureDeconvolution.h:64
DPosition< 2 > ClusterPointType
Definition: MetaboliteFeatureDeconvolution.h:68
A container for consensus elements.
Definition: ConsensusMap.h:79
A base class for all classes handling default parameters.
Definition: DefaultParamHandler.h:91
Holds information on an edge connecting two features from a (putative) charge ladder.
Definition: Compomer.h:58
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:46
ILPDCWrapper::PairsType PairsType
Definition: MetaboliteFeatureDeconvolution.h:70