FeatureMapping.h File Reference

#include <OpenMS/KERNEL/BaseFeature.h>
#include <OpenMS/KERNEL/FeatureMap.h>
#include <OpenMS/ANALYSIS/QUANTITATION/KDTreeFeatureMaps.h>
#include <OpenMS/KERNEL/MSExperiment.h>

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Classes
class	FeatureMapping
	Helper utilities for matching MS2 spectra to LC-MS features by precursor (m/z, RT). More...
class	FeatureMapping::FeatureMappingInfo
	Input bundle: feature maps and a spatial index over them. More...
class	FeatureMapping::FeatureToMs2Indices
	Output bundle: per-feature MS2 spectrum indices + the list of unassigned MS2 spectra. More...

Namespaces
namespace	OpenMS
	Main OpenMS namespace.

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Class Documentation

OpenMS::FeatureMapping::FeatureMappingInfo

class OpenMS::FeatureMapping::FeatureMappingInfo

Input bundle: feature maps and a spatial index over them.

feature_maps owns the raw FeatureMap objects (one per input run); kd_tree is a KDTreeFeatureMaps pre-populated with the same features and provides fast (RT, m/z) range queries. The caller is responsible for keeping the two consistent (i.e. building the kd-tree from the same maps stored here).

Collaboration diagram for FeatureMapping::FeatureMappingInfo:

Class Members
vector< FeatureMap >	feature_maps	feature data, one map per input run
KDTreeFeatureMaps	kd_tree	(RT, m/z) kd-tree referencing the features in feature_maps

OpenMS::FeatureMapping::FeatureToMs2Indices

class OpenMS::FeatureMapping::FeatureToMs2Indices

Output bundle: per-feature MS2 spectrum indices + the list of unassigned MS2 spectra.

Keys of assignedMS2 are non-owning pointers into the FeatureMap data held by the FeatureMappingInfo passed to assignMS2IndexToFeature; the values are spectrum indices into the spectra input. unassignedMS2 holds the indices of MS2 spectra that had at least one precursor but no feature inside the tolerance window (MS2 spectra without a precursor are silently dropped and appear in neither container).

Collaboration diagram for FeatureMapping::FeatureToMs2Indices:

Class Members
map< const BaseFeature *, vector< size_t > >	assignedMS2	MS2 spectrum indices grouped by the feature they were assigned to.
vector< size_t >	unassignedMS2	Indices of MS2 spectra that had a precursor but no feature inside the tolerance window.