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ModificationDefinitionIO.h
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1// Copyright (c) 2002-present, OpenMS Inc. -- EKU Tuebingen, ETH Zurich, and FU Berlin
2// SPDX-License-Identifier: BSD-3-Clause
3//
4// --------------------------------------------------------------------------
5// $Maintainer: Timo Sachsenberg $
6// $Authors: Timo Sachsenberg $
7// --------------------------------------------------------------------------
8
9#pragma once
10
11#include <OpenMS/config.h>
12
16
17#include <map>
18#include <set>
19#include <string>
20#include <vector>
21
22namespace OpenMS
23{
24 class ConsensusMap;
25 class FeatureMap;
26 class ResidueModification;
27
38 class OPENMS_DLLAPI ModificationDefinitionIO
39 {
40 public:
42 static bool isDefinition(const ResidueModification* mod);
43
50 static std::map<std::string, std::set<const ResidueModification*>> collect(
51 const std::vector<ProteinIdentification>& protein_ids,
52 const PeptideIdentificationList& peptide_ids);
53
55 static std::map<std::string, std::set<const ResidueModification*>> collect(const FeatureMap& map);
56
58 static std::map<std::string, std::set<const ResidueModification*>> collect(const ConsensusMap& map);
59
61 static std::string encode(const std::set<const ResidueModification*>& defs);
62
66 const std::set<const ResidueModification*>& defs);
67
70 static std::map<std::string, std::string> encodeByRun(
71 const std::vector<ProteinIdentification>& protein_ids,
72 const std::map<std::string, std::set<const ResidueModification*>>& defs);
73
76 static Size registerFrom(const std::string& records);
77
80 };
81} // namespace OpenMS
A container for consensus elements.
Definition ConsensusMap.h:67
A container for features.
Definition FeatureMap.h:78
Collect, serialise and re-register the definitions of tool-defined modifications.
Definition ModificationDefinitionIO.h:39
static bool isDefinition(const ResidueModification *mod)
The selection predicate: a named modification whose definition must travel with the file.
static std::map< std::string, std::set< const ResidueModification * > > collect(const FeatureMap &map)
collect() over a FeatureMap: its runs, the identifications of every feature (subordinates included) a...
static Size registerFrom(const std::string &records)
static std::map< std::string, std::set< const ResidueModification * > > collect(const std::vector< ProteinIdentification > &protein_ids, const PeptideIdentificationList &peptide_ids)
Collect, per run identifier, the definitions the identifications reference.
static std::map< std::string, std::set< const ResidueModification * > > collect(const ConsensusMap &map)
collect() over a ConsensusMap: its runs, the identifications of every consensus feature and the unass...
static void attach(ProteinIdentification::SearchParameters &sp, const std::set< const ResidueModification * > &defs)
static Size registerFrom(const ProteinIdentification::SearchParameters &sp)
Convenience: registerFrom() on the meta value of sp, if present.
static std::map< std::string, std::string > encodeByRun(const std::vector< ProteinIdentification > &protein_ids, const std::map< std::string, std::set< const ResidueModification * > > &defs)
static std::string encode(const std::set< const ResidueModification * > &defs)
Serialise defs into one ';'-joined string. Deterministic: records are sorted.
Container for peptide identifications from multiple spectra.
Definition PeptideIdentificationList.h:66
Representation of a modification on an amino acid residue.
Definition ResidueModification.h:55
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
Search parameters of the DB search.
Definition ProteinIdentification.h:194