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MissedCleavages.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: Chris Bielow $
6// $Authors: Swenja Wagner, Patricia Scheil $
7// --------------------------------------------------------------------------
8
9
10#pragma once
11
16#include <OpenMS/QC/QCBase.h>
17#include <map>
18#include <vector>
19namespace OpenMS
20{
21 class FeatureMap;
32 class OPENMS_DLLAPI MissedCleavages : public QCBase
33 {
34 private:
35 typedef std::map<UInt32, UInt32> MapU32;
38
39 public:
41 MissedCleavages() = default;
42
44 virtual ~MissedCleavages() = default;
45
55 void compute(FeatureMap& fmap);
56 void compute(std::vector<ProteinIdentification>& prot_ids, PeptideIdentificationList& pep_ids);
57
59 const String& getName() const override;
60
62 const std::vector<std::map<UInt32, UInt32>>& getResults() const;
63
68 QCBase::Status requirements() const override;
69
70 private:
72 std::vector<std::map<UInt32, UInt32>> mc_result_;
73 };
74} // namespace OpenMS
A container for features.
Definition FeatureMap.h:82
Stores and handles combinations of enum values, e.g. a set of flags as bits flipped in an UInt64.
Definition FlagSet.h:28
This class is a metric for the QualityControl TOPP Tool.
Definition MissedCleavages.h:33
const String & getName() const override
returns the name of the metric
std::map< UInt32, UInt32 > MapU32
Definition MissedCleavages.h:35
std::vector< std::map< UInt32, UInt32 > > mc_result_
container that stores results
Definition MissedCleavages.h:72
virtual ~MissedCleavages()=default
destructor
void compute(FeatureMap &fmap)
Counts the number of missed cleavages per PeptideIdentification.
void compute(std::vector< ProteinIdentification > &prot_ids, PeptideIdentificationList &pep_ids)
QCBase::Status requirements() const override
Returns the input data requirements of the compute(...) function.
MissedCleavages()=default
constructor
const std::vector< std::map< UInt32, UInt32 > > & getResults() const
returns the result as maps of number of missed_cleavages to counts; one map for each call to compute(...
void get_missed_cleavages_from_peptide_identification_(const ProteaseDigestion &digestor, MapU32 &result, const UInt32 &max_mc, PeptideIdentification &pep_id)
collects number of missed cleavages from PeptideIdentification in a result map (missed cleavages: occ...
Container for peptide identifications from multiple spectra.
Definition PeptideIdentificationList.h:66
Represents the set of candidates (SpectrumMatches) identified for a single precursor spectrum.
Definition PeptideIdentification.h:64
Class for the enzymatic digestion of proteins represented as AASequence or String.
Definition ProteaseDigestion.h:32
This class serves as an abstract base class for all QC classes.
Definition QCBase.h:29
A more convenient string class.
Definition String.h:34
uint32_t UInt32
Unsigned integer type (32bit)
Definition Types.h:33
Main OpenMS namespace.
Definition openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/ISpectrumAccess.h:19