| OpenMS 2.5.0

ParentMoleculeGroup.h
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31 // $Maintainer: Hendrik Weisser $
32 // $Authors: Hendrik Weisser $
33 // --------------------------------------------------------------------------
34
35 #pragma once
36
37 #include <OpenMS/METADATA/ID/ParentMolecule.h>
38
39 #include <boost/multi_index_container.hpp>
40 #include <boost/multi_index/ordered_index.hpp>
41 #include <boost/multi_index/member.hpp>
42
43 namespace OpenMS
44 {
45 namespace IdentificationDataInternal
46 {
49 // @TODO: derive from MetaInfoInterface?
50 struct ParentMoleculeGroup
51 {
52 std::map<ScoreTypeRef, double> scores;
53 // @TODO: does this need a "leader" or some such?
54 std::set<ParentMoleculeRef> parent_molecule_refs;
55 };
56
57 typedef boost::multi_index_container<
58 ParentMoleculeGroup,
59 boost::multi_index::indexed_by<
60 boost::multi_index::ordered_unique<
61 boost::multi_index::member<
62 ParentMoleculeGroup, std::set<ParentMoleculeRef>,
63 &ParentMoleculeGroup::parent_molecule_refs>>>
64 > ParentMoleculeGroups;
65 typedef IteratorWrapper<ParentMoleculeGroups::iterator> ParentGroupRef;
66
69 struct ParentMoleculeGrouping: public ScoredProcessingResult
70 {
71 String label; // @TODO: use "label" as a uniqueness constraint?
72 ParentMoleculeGroups groups;
73 };
74
75 typedef std::vector<ParentMoleculeGrouping> ParentMoleculeGroupings;
76
77 }
78 }
OpenMS::String
A more convenient string class.
Definition: String.h:58
OpenMS::IdentificationDataInternal::ParentGroupRef
IteratorWrapper< ParentMoleculeGroups::iterator > ParentGroupRef
Definition: ParentMoleculeGroup.h:65
ParentMolecule.h
OpenMS::IdentificationDataInternal::ParentMoleculeGroupings
std::vector< ParentMoleculeGrouping > ParentMoleculeGroupings
Definition: ParentMoleculeGroup.h:75
OpenMS::IdentificationDataInternal::ParentMoleculeGrouping::groups
ParentMoleculeGroups groups
Definition: ParentMoleculeGroup.h:72
OpenMS::IdentificationDataInternal::IteratorWrapper
Wrapper that adds operator< to iterators, so they can be used as (part of) keys in maps/sets or multi...
Definition: MetaData.h:43
OpenMS::IdentificationDataInternal::ParentMoleculeGroups
boost::multi_index_container< ParentMoleculeGroup, boost::multi_index::indexed_by< boost::multi_index::ordered_unique< boost::multi_index::member< ParentMoleculeGroup, std::set< ParentMoleculeRef >, &ParentMoleculeGroup::parent_molecule_refs > > > > ParentMoleculeGroups
Definition: ParentMoleculeGroup.h:64
OpenMS::IdentificationDataInternal::ParentMoleculeGrouping
Set of groups of ambiguously identified parent molecules (e.g. results of running a protein inference...
Definition: ParentMoleculeGroup.h:69
OpenMS::IdentificationDataInternal::ScoredProcessingResult
Base class for ID data with scores and processing steps (and meta info)
Definition: ScoredProcessingResult.h:44
OpenMS
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:46
OpenMS::IdentificationDataInternal::ParentMoleculeGroup
: Group of ambiguously identified parent molecules (e.g. protein group)
Definition: ParentMoleculeGroup.h:50
OpenMS::IdentificationDataInternal::ParentMoleculeGrouping::label
String label
Definition: ParentMoleculeGroup.h:71
OpenMS::IdentificationDataInternal::ParentMoleculeGroup::scores
std::map< ScoreTypeRef, double > scores
Definition: ParentMoleculeGroup.h:52
OpenMS::IdentificationDataInternal::ParentMoleculeGroup::parent_molecule_refs
std::set< ParentMoleculeRef > parent_molecule_refs
Definition: ParentMoleculeGroup.h:54