OpenMS
FeatureMapping.h
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31 // $Maintainer: Oliver Alka $
32 // $Authors: Oliver Alka $
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34 
35 #pragma once
36 
41 
42 namespace OpenMS
43 {
44 
45  class OPENMS_DLLAPI FeatureMapping
46  {
47  public:
48 
51  {
52  public:
53  std::vector<FeatureMap> feature_maps; // feature data
54  KDTreeFeatureMaps kd_tree; // KDTree references into feature_maps to provides fast spatial queries
55  };
56 
59  {
60  public:
61  std::map<const BaseFeature*, std::vector<size_t>> assignedMS2;
62  std::vector<size_t> unassignedMS2;
63  };
64 
78  const FeatureMappingInfo& fm_info,
79  const double& precursor_mz_tolerance,
80  const double& precursor_rt_tolerance,
81  bool ppm);
82 
83  };
84 } // namespace OpenMS
Definition: FeatureMapping.h:46
static FeatureToMs2Indices assignMS2IndexToFeature(const MSExperiment &spectra, const FeatureMappingInfo &fm_info, const double &precursor_mz_tolerance, const double &precursor_rt_tolerance, bool ppm)
Allocate ms2 spectra to feature within the minimal distance.
KDTreeFeatureMaps kd_tree
Definition: FeatureMapping.h:54
std::vector< FeatureMap > feature_maps
Definition: FeatureMapping.h:53
std::map< const BaseFeature *, std::vector< size_t > > assignedMS2
Definition: FeatureMapping.h:61
std::vector< size_t > unassignedMS2
Definition: FeatureMapping.h:62
Stores information required for preprocessing.
Definition: FeatureMapping.h:51
Stores preprocessed feature mapping information.
Definition: FeatureMapping.h:59
Stores a set of features, together with a 2D tree for fast search.
Definition: KDTreeFeatureMaps.h:50
In-Memory representation of a mass spectrometry run.
Definition: MSExperiment.h:72
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:48