OpenMS
FeatureGroupingAlgorithm.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: Timo Sachsenberg $
6 // $Authors: Marc Sturm, Clemens Groepl, Chris Bielow $
7 // --------------------------------------------------------------------------
8 
9 #pragma once
10 
14 
15 namespace OpenMS
16 {
17 
23  class OPENMS_DLLAPI FeatureGroupingAlgorithm :
24  public DefaultParamHandler
25  {
26 public:
29 
32 
34  virtual void group(const std::vector<FeatureMap > & maps, ConsensusMap & out) = 0;
35 
39  virtual void group(const std::vector<ConsensusMap> & maps, ConsensusMap & out);
40 
42  void transferSubelements(const std::vector<ConsensusMap> & maps, ConsensusMap & out) const;
43 
44 
45 protected:
46 
49  template<class MapType>
50  void postprocess_(const std::vector<MapType>& maps, ConsensusMap& out)
51  {
52  // add protein IDs and unassigned peptide IDs to the result map here,
53  // to keep the same order as the input maps (useful for output later):
54  auto& newIDs = out.getUnassignedPeptideIdentifications();
55  Size map_idx = 0;
56 
57  for (typename std::vector<MapType>::const_iterator map_it = maps.begin();
58  map_it != maps.end(); ++map_it)
59  {
60  // add protein identifications to result map:
61  out.getProteinIdentifications().insert(
62  out.getProteinIdentifications().end(),
63  map_it->getProteinIdentifications().begin(),
64  map_it->getProteinIdentifications().end());
65 
66  // assign the map_index to unassigned PepIDs as well.
67  // for the assigned ones, this has to be done in the subclass.
68  for (const PeptideIdentification& pepID : map_it->getUnassignedPeptideIdentifications())
69  {
70  auto newPepID = pepID;
71  // Note: during linking of _consensus_Maps we have the problem that old identifications
72  // should already have a map_index associated. Since we group the consensusFeatures only anyway
73  // (without keeping the subfeatures) the method for now is to "re"-index based on the input file/map index.
74  // Subfeatures have to be transferred in postprocessing if required
75  // (see FeatureGroupingAlgorithm::transferSubelements as used in the TOPP tools, i.e. FeatureLinkerBase),
76  // which also takes care of a re-re-indexing if the old map_index of the IDs was saved.
77  newPepID.setMetaValue("map_index", map_idx);
78  newIDs.push_back(newPepID);
79  }
80  map_idx++;
81  }
82 
83  // canonical ordering for checking the results:
84  out.sortByQuality();
85  out.sortByMaps();
86  out.sortBySize();
87  }
88 private:
93 
94 
95 
96  };
97 
98 } // namespace OpenMS
99 
A container for consensus elements.
Definition: ConsensusMap.h:66
void sortByMaps()
Sorts with respect to the sets of maps covered by the consensus features (lexicographically).
void sortBySize()
Sorts with respect to the size (number of elements)
const std::vector< ProteinIdentification > & getProteinIdentifications() const
non-mutable access to the protein identifications
const std::vector< PeptideIdentification > & getUnassignedPeptideIdentifications() const
non-mutable access to the unassigned peptide identifications
void sortByQuality(bool reverse=false)
Sorts the peaks according to ascending quality.
A base class for all classes handling default parameters.
Definition: DefaultParamHandler.h:66
Base class for all feature grouping algorithms.
Definition: FeatureGroupingAlgorithm.h:25
void transferSubelements(const std::vector< ConsensusMap > &maps, ConsensusMap &out) const
Transfers subelements (grouped features) from input consensus maps to the result consensus map.
FeatureGroupingAlgorithm()
Default constructor.
virtual void group(const std::vector< ConsensusMap > &maps, ConsensusMap &out)
FeatureGroupingAlgorithm & operator=(const FeatureGroupingAlgorithm &)
Assignment operator is not implemented -> private.
~FeatureGroupingAlgorithm() override
Destructor.
void postprocess_(const std::vector< MapType > &maps, ConsensusMap &out)
Definition: FeatureGroupingAlgorithm.h:50
virtual void group(const std::vector< FeatureMap > &maps, ConsensusMap &out)=0
Applies the algorithm. The features in the input maps are grouped and the output is written to the co...
FeatureGroupingAlgorithm(const FeatureGroupingAlgorithm &)
Copy constructor is not implemented -> private.
Represents the peptide hits for a spectrum.
Definition: PeptideIdentification.h:39
size_t Size
Size type e.g. used as variable which can hold result of size()
Definition: Types.h:97
Main OpenMS namespace.
Definition: openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/ISpectrumAccess.h:19