OpenMS
FeatureMapping.h
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1 // Copyright (c) 2002-present, The OpenMS Team -- EKU Tuebingen, ETH Zurich, and FU Berlin
2 // SPDX-License-Identifier: BSD-3-Clause
3 //
4 // --------------------------------------------------------------------------
5 // $Maintainer: Oliver Alka $
6 // $Authors: Oliver Alka $
7 // --------------------------------------------------------------------------
8 
9 #pragma once
10 
15 
16 namespace OpenMS
17 {
18 
19  class OPENMS_DLLAPI FeatureMapping
20  {
21  public:
22 
25  {
26  public:
27  std::vector<FeatureMap> feature_maps;
29  };
30 
33  {
34  public:
35  std::map<const BaseFeature*, std::vector<size_t>> assignedMS2;
36  std::vector<size_t> unassignedMS2;
37  };
38 
52  const FeatureMappingInfo& fm_info,
53  const double& precursor_mz_tolerance,
54  const double& precursor_rt_tolerance,
55  bool ppm);
56 
57  };
58 } // namespace OpenMS
Definition: FeatureMapping.h:20
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
KDTree references into feature_maps to provides fast spatial queries.
Definition: FeatureMapping.h:28
std::vector< FeatureMap > feature_maps
feature data
Definition: FeatureMapping.h:27
std::map< const BaseFeature *, std::vector< size_t > > assignedMS2
Definition: FeatureMapping.h:35
std::vector< size_t > unassignedMS2
Definition: FeatureMapping.h:36
Stores information required for preprocessing.
Definition: FeatureMapping.h:25
Stores preprocessed feature mapping information.
Definition: FeatureMapping.h:33
Stores a set of features, together with a 2D tree for fast search.
Definition: KDTreeFeatureMaps.h:24
In-Memory representation of a mass spectrometry run.
Definition: MSExperiment.h:45
Main OpenMS namespace.
Definition: openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/ISpectrumAccess.h:19