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GNPSMGFFile.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// $Maintainer: Dorrestein Lab - University of California San Diego - https://dorresteinlab.ucsd.edu/$
6// $Authors: Abinesh Sarvepalli and Louis Felix Nothias$
7// $Contributors: Fabian Aicheler and Oliver Alka from Oliver Kohlbacher's group at Tubingen University$
8
9#pragma once
10
14
15namespace OpenMS
16{
37 class OPENMS_DLLAPI GNPSMGFFile :
39 public ProgressLogger
40 {
41 public:
44
59 void store(const std::string& consensus_file_path, const StringList& mzml_file_paths, const std::string& out) const;
60
61 private:
63 static constexpr double DEF_COSINE_SIMILARITY = 0.9;
65 static constexpr double DEF_MERGE_BIN_SIZE = static_cast<double>(BinnedSpectrum::DEFAULT_BIN_WIDTH_HIRES);
66
67// static constexpr double DEF_PREC_MASS_TOL = 0.5;
68// static constexpr bool DEF_PREC_MASS_TOL_ISPPM = false;
69
71 static constexpr int DEF_PEPT_CUTOFF = 5;
73 static constexpr int DEF_MSMAP_CACHE = 50;
74 };
75}
A base class for all classes handling default parameters.
Definition DefaultParamHandler.h:66
Writer for the consensus-spectrum MGF file consumed by GNPS Feature-Based / Ion-Identity Molecular Ne...
Definition GNPSMGFFile.h:40
GNPSMGFFile()
Default constructor; installs the export parameters (see class docs)
void store(const std::string &consensus_file_path, const StringList &mzml_file_paths, const std::string &out) const
Write the consensus-spectrum MGF for GNPS molecular networking.
Base class for all classes that want to report their progress.
Definition ProgressLogger.h:27
std::vector< std::string > StringList
Vector of String.
Definition ListUtils.h:44
Main OpenMS namespace.
Definition openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/ISpectrumAccess.h:19