36 #ifndef OPENMS_ANALYSIS_MAPMATCHING_QTCLUSTERFINDER_H 37 #define OPENMS_ANALYSIS_MAPMATCHING_QTCLUSTERFINDER_H 46 #include <boost/unordered_map.hpp> 89 typedef OpenMSBoost::unordered_map<std::pair<GridFeature*, GridFeature*>,
125 double getDistance_(GridFeature* left, GridFeature* right);
132 bool compatibleIDs_(
QTCluster& cluster,
const GridFeature* neighbor);
135 void setParameters_(
double max_intensity,
double max_mz);
138 void makeConsensusFeature_(std::list<QTCluster>& clustering,
140 ElementMapping& element_mapping);
143 void computeClustering_(Grid& grid, std::list<QTCluster>& clustering);
146 template <
typename MapType>
147 void run_(
const std::vector<MapType>& input_maps,
ConsensusMap& result_map);
176 void run(
const std::vector<ConsensusMap>& input_maps,
186 void run(
const std::vector<FeatureMap>& input_maps,
Container for (2-dimensional coordinate, value) pairs.
Definition: HashGrid.h:62
FeatureDistance feature_distance_
Feature distance functor.
Definition: QTClusterFinder.h:111
A functor class for the calculation of distances between features or consensus features.
Definition: FeatureDistance.h:76
A more convenient string class.
Definition: String.h:57
static BaseGroupFinder * create()
Returns an instance of this class.
Definition: QTClusterFinder.h:190
PairDistances distances_
Distance map.
Definition: QTClusterFinder.h:118
A representation of a QT cluster used for feature grouping.
Definition: QTCluster.h:82
Retention time dimension id (0 if used as a const int)
Definition: Peak2D.h:76
bool use_IDs_
Consider peptide identifications for grouping?
Definition: QTClusterFinder.h:102
A container for consensus elements.
Definition: ConsensusMap.h:72
double max_diff_mz_
Maximum m/z difference.
Definition: QTClusterFinder.h:108
static const String getProductName()
Returns the name of the product.
Definition: QTClusterFinder.h:164
Mass-to-charge dimension id (1 if used as a const int)
Definition: Peak2D.h:77
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:47
Size num_maps_
Number of input maps.
Definition: QTClusterFinder.h:99
double max_diff_rt_
Maximum RT difference.
Definition: QTClusterFinder.h:105
The base class of all element group finding algorithms.
Definition: BaseGroupFinder.h:59
HashGrid< GridFeature * > Grid
Definition: QTClusterFinder.h:96
Representation of a feature in a hash grid.
Definition: GridFeature.h:53
OpenMSBoost::unordered_map< std::pair< GridFeature *, GridFeature * >, double > PairDistances
Distances between pairs of grid features.
Definition: QTClusterFinder.h:90
OpenMSBoost::unordered_map< GridFeature *, std::vector< QTCluster * > > ElementMapping
Map to store which grid features are next to which clusters.
Definition: QTClusterFinder.h:94
A variant of QT clustering for the detection of feature groups.
Definition: QTClusterFinder.h:83
A 2-dimensional consensus feature.
Definition: ConsensusFeature.h:65