40 #include <OpenMS/OpenMSConfig.h> 41 #include <OpenMS/config.h> 43 #include <boost/unordered_map.hpp> 59 #if OPENMS_BOOST_VERSION_MINOR > 47 60 using namespace boost::unordered;
62 using namespace boost;
120 typedef OpenMSBoost::unordered_map<Size, NeighborPairType>
NeighborMap;
190 void computeQuality_();
211 double optimizeAnnotations_();
223 double max_distance,
bool use_IDs,
224 Int x_coord,
Int y_coord);
233 double getCenterRT()
const;
236 double getCenterMZ()
const;
239 Int getXCoord()
const;
242 Int getYCoord()
const;
259 void getElements(OpenMSBoost::unordered_map<Size, GridFeature*>& elements);
268 bool update(
const OpenMSBoost::unordered_map<Size, GridFeature*>& removed);
274 const std::set<AASequence>& getAnnotations();
292 void initializeCluster();
295 void finalizeCluster();
298 OpenMSBoost::unordered_map<Size, std::vector<GridFeature*> > getAllNeighbors();
std::set< AASequence > annotations_
Set of annotations of the cluster.
Definition: QTCluster.h:184
A representation of a QT cluster used for feature grouping.
Definition: QTCluster.h:111
NeighborMap neighbors_
Map that keeps track of the best current feature for each map.
Definition: QTCluster.h:129
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:46
GridFeature * center_point_
Pointer to the cluster center.
Definition: QTCluster.h:123
bool operator<(const MultiplexDeltaMasses &dm1, const MultiplexDeltaMasses &dm2)
Representation of a feature in a hash grid.
Definition: GridFeature.h:52
bool use_IDs_
Keep track of peptide IDs and use them for matching?
Definition: QTCluster.h:153
bool collect_annotations_
Whether initial collection of all neighbors is needed.
Definition: QTCluster.h:167
NeighborMapMulti * tmp_neighbors_
Temporary map tracking *all* neighbors.
Definition: QTCluster.h:138
bool finalized_
Whether current cluster is accepting new elements or not (if true, no more new elements allowed) ...
Definition: QTCluster.h:170
Int x_coord_
x coordinate in the grid cell
Definition: QTCluster.h:173
bool changed_
Has the cluster changed (if yes, quality needs to be recomputed)?
Definition: QTCluster.h:150
Int y_coord_
y coordinate in the grid cell
Definition: QTCluster.h:176
std::pair< double, GridFeature * > NeighborPairType
Definition: QTCluster.h:119
OpenMSBoost::unordered_map< Size, NeighborPairType > NeighborMap
Definition: QTCluster.h:120
OpenMSBoost::unordered_map< Size, NeighborListType > NeighborMapMulti
Definition: QTCluster.h:117
Size num_maps_
Number of input maps.
Definition: QTCluster.h:144
size_t Size
Size type e.g. used as variable which can hold result of size()
Definition: Types.h:127
std::multimap< double, GridFeature * > NeighborListType
Definition: QTCluster.h:116
bool valid_
Whether current cluster is valid.
Definition: QTCluster.h:156
double quality_
Quality of the cluster.
Definition: QTCluster.h:147
bool isInvalid() const
Whether current cluster is invalid.
Definition: QTCluster.h:286
int Int
Signed integer type.
Definition: Types.h:102
double max_distance_
Maximum distance of a point that can still belong to the cluster.
Definition: QTCluster.h:141