36 #ifndef OPENMS_DATASTRUCTURES_QTCLUSTER_H
37 #define OPENMS_DATASTRUCTURES_QTCLUSTER_H
44 #include <boost/unordered_map.hpp>
55 #if OPENMS_BOOST_VERSION_MINOR > 47
56 using namespace boost::unordered;
58 using namespace boost;
90 typedef OpenMSBoost::unordered_map<Size, std::multimap<double, GridFeature*> >
NeighborMap;
128 void computeQuality_();
137 double optimizeAnnotations_();
149 double max_distance,
bool use_IDs);
155 double getCenterRT()
const;
158 double getCenterMZ()
const;
175 void getElements(OpenMSBoost::unordered_map<Size, GridFeature*>& elements);
181 bool update(
const OpenMSBoost::unordered_map<Size, GridFeature*>& removed);
187 const std::set<AASequence>& getAnnotations();
198 #endif // OPENMS_DATASTRUCTURES_QTCLUSTER_H
std::set< AASequence > annotations_
Set of annotations of the cluster.
Definition: QTCluster.h:122
void setInvalid()
Definition: QTCluster.h:189
A representation of a QT cluster used for feature grouping.
Definition: QTCluster.h:82
NeighborMap neighbors_
Neighbors of the cluster center, sorted by distance, for different input maps.
Definition: QTCluster.h:100
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:47
NeighborMap getNeighbors()
Definition: QTCluster.h:193
GridFeature * center_point_
Pointer to the cluster center.
Definition: QTCluster.h:93
Representation of a feature in a hash grid.
Definition: GridFeature.h:53
bool use_IDs_
Keep track of peptide IDs and use them for matching?
Definition: QTCluster.h:115
bool changed_
Has the cluster changed (if yes, quality needs to be recomputed)?
Definition: QTCluster.h:112
Size num_maps_
Number of input maps.
Definition: QTCluster.h:106
bool isInvalid()
Definition: QTCluster.h:191
bool valid_
Definition: QTCluster.h:139
OpenMSBoost::unordered_map< Size, std::multimap< double, GridFeature * > > NeighborMap
Mapping: input map -> distance to center (ordered!) -> neighboring point.
Definition: QTCluster.h:90
double quality_
Quality of the cluster.
Definition: QTCluster.h:109
double max_distance_
Maximum distance of a point that can still belong to the cluster.
Definition: QTCluster.h:103