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QPXFile.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: Timo Sachsenberg $
7// --------------------------------------------------------------------------
8
9#pragma once
10
11#include <OpenMS/config.h>
12
18
19#include <memory>
20#include <vector>
21
22// Forward declarations
23namespace arrow
24{
25 class Table;
26}
27
28namespace OpenMS
29{
30
42class OPENMS_DLLAPI QPXFile
43{
44public:
52 static std::shared_ptr<arrow::Table> exportToArrow(
53 const std::vector<ProteinIdentification>& protein_identifications,
54 const PeptideIdentificationList& peptide_identifications,
55 bool export_all_psms = false);
56
69 static std::shared_ptr<arrow::Table> exportPSMsToQPXArrow(
70 const std::vector<ProteinIdentification>& protein_identifications,
71 const PeptideIdentificationList& peptide_identifications,
72 bool export_all_psms = false);
73
84 static bool exportToParquet(
85 const std::vector<ProteinIdentification>& protein_identifications,
86 const PeptideIdentificationList& peptide_identifications,
87 const String& filename,
88 bool export_all_psms = false,
89 const ParquetWriteConfig& config = ParquetWriteConfig{});
90};
91
92} // namespace OpenMS
Container for peptide identifications from multiple spectra.
Definition PeptideIdentificationList.h:66
Export PSM (Peptide Spectrum Match) data to Apache Arrow format following QPX PSM schema.
Definition QPXFile.h:43
static std::shared_ptr< arrow::Table > exportToArrow(const std::vector< ProteinIdentification > &protein_identifications, const PeptideIdentificationList &peptide_identifications, bool export_all_psms=false)
Export PSMs to Arrow table using PSMSchema for lossless round-trips.
static bool exportToParquet(const std::vector< ProteinIdentification > &protein_identifications, const PeptideIdentificationList &peptide_identifications, const String &filename, bool export_all_psms=false, const ParquetWriteConfig &config=ParquetWriteConfig{})
Export PSM data to Parquet file.
static std::shared_ptr< arrow::Table > exportPSMsToQPXArrow(const std::vector< ProteinIdentification > &protein_identifications, const PeptideIdentificationList &peptide_identifications, bool export_all_psms=false)
Export PSMs to QPX Parquet eXchange format Arrow table (QPXPSMSchema).
A more convenient string class.
Definition String.h:32
Main OpenMS namespace.
Definition openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/ISpectrumAccess.h:19
Definition ArrowSchemaRegistry.h:18
Configuration for Parquet file writing.
Definition MSExperimentArrowExport.h:136