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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
19namespace OpenMS
20{
21 class ProteinIdentification;
22
31 class OPENMS_DLLAPI PepNovoOutfile
32 {
33public:
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
PepNovoOutfile & operator=(const PepNovoOutfile &pepnovo_outfile)
assignment operator
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
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:54
A more convenient string class.
Definition String.h:34
Main OpenMS namespace.
Definition openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/ISpectrumAccess.h:19