All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Properties Friends Macros Modules Pages
MissedCleavages.h
Go to the documentation of this file.
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>
19 namespace 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
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.
const String & getName() const override
returns the name of the metric
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:63
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