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PepNovoOutfile.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: Sandro Andreotti, Chris Bielow $
7 // --------------------------------------------------------------------------
8 
9 #pragma once
10 
15 
16 #include <vector>
17 #include <map>
18 
19 namespace OpenMS
20 {
21  class ProteinIdentification;
22 
31  class OPENMS_DLLAPI PepNovoOutfile
32  {
33 public:
34 
35  typedef std::map<Size, std::pair<double, double> > IndexPosMappingType;
36 
39 
41  PepNovoOutfile(const PepNovoOutfile & pepnovo_outfile);
42 
44  virtual ~PepNovoOutfile();
45 
47  PepNovoOutfile & operator=(const PepNovoOutfile & pepnovo_outfile);
48 
50  bool operator==(const PepNovoOutfile & pepnovo_outfile) const;
51 
64  void load(const std::string & result_filename, PeptideIdentificationList & peptide_identifications,
65  ProteinIdentification & protein_identification,
66  const double & score_threshold,
67  const IndexPosMappingType & id_rt_mz,
68  const std::map<String, String> & mod_id_map);
69 
77  void getSearchEngineAndVersion(const String & pepnovo_output_without_parameters_filename, ProteinIdentification & protein_identification);
78 
79  };
80 
81 } //namespace OpenMS
82 
Representation of a PepNovo output file.
Definition: PepNovoOutfile.h:32
void getSearchEngineAndVersion(const String &pepnovo_output_without_parameters_filename, ProteinIdentification &protein_identification)
get the search engine version and search parameters from a PepNovo output file
PepNovoOutfile & operator=(const PepNovoOutfile &pepnovo_outfile)
assignment operator
std::map< Size, std::pair< double, double > > IndexPosMappingType
Definition: PepNovoOutfile.h:35
virtual ~PepNovoOutfile()
destructor
bool operator==(const PepNovoOutfile &pepnovo_outfile) const
equality operator
PepNovoOutfile()
Constructor.
PepNovoOutfile(const PepNovoOutfile &pepnovo_outfile)
copy constructor
void load(const std::string &result_filename, PeptideIdentificationList &peptide_identifications, ProteinIdentification &protein_identification, const double &score_threshold, const IndexPosMappingType &id_rt_mz, const std::map< String, String > &mod_id_map)
loads data from a PepNovo outfile
Container for peptide identifications from multiple spectra.
Definition: PeptideIdentificationList.h:66
Representation of a protein identification run.
Definition: ProteinIdentification.h:51
A more convenient string class.
Definition: String.h:34
Main OpenMS namespace.
Definition: openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/ISpectrumAccess.h:19