OpenMS  2.8.0
GNPSMGFFile.h
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31 // $Maintainer: Dorrestein Lab - University of California San Diego - https://dorresteinlab.ucsd.edu/$
32 // $Authors: Abinesh Sarvepalli and Louis Felix Nothias$
33 // $Contributors: Fabian Aicheler and Oliver Alka from Oliver Kohlbacher's group at Tubingen University$
34 
35 #pragma once
36 
40 
41 namespace OpenMS
42 {
43  class OPENMS_DLLAPI GNPSMGFFile :
44  public DefaultParamHandler,
45  public ProgressLogger
46  {
47  public:
48  // default c'tor
50 
51  // see GNPSExport tool documentation
58  void run(const String& consensus_file_path, const StringList& mzml_file_paths, const String& out) const;
59 
60  private:
61  static constexpr double DEF_COSINE_SIMILARITY = 0.9;
62  static constexpr double DEF_MERGE_BIN_SIZE = static_cast<double>(BinnedSpectrum::DEFAULT_BIN_WIDTH_HIRES);
63 
64 // static constexpr double DEF_PREC_MASS_TOL = 0.5;
65 // static constexpr bool DEF_PREC_MASS_TOL_ISPPM = false;
66 
67  static constexpr int DEF_PEPT_CUTOFF = 5;
68  static constexpr int DEF_MSMAP_CACHE = 50;
69  };
70 }
static constexpr const float DEFAULT_BIN_WIDTH_HIRES
Definition: BinnedSpectrum.h:104
A base class for all classes handling default parameters.
Definition: DefaultParamHandler.h:93
Definition: GNPSMGFFile.h:46
void run(const String &consensus_file_path, const StringList &mzml_file_paths, const String &out) const
Create file for GNPS molecular networking.
Base class for all classes that want to report their progress.
Definition: ProgressLogger.h:53
A more convenient string class.
Definition: String.h:60
std::vector< String > StringList
Vector of String.
Definition: ListUtils.h:70
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:47