OpenMS
Loading...
Searching...
No Matches
TransitionPQPFile.h
Go to the documentation of this file.
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: George Rosenberger $
6// $Authors: George Rosenberger, Hannes Roest $
7// --------------------------------------------------------------------------
8
9#pragma once
10
12
13namespace OpenMS
14{
15 class SqliteConnector;
16
190 class OPENMS_DLLAPI TransitionPQPFile :
191 public TransitionTSVFile
192 {
193
194private:
195
205
217 PQPSqlQueryInfo buildPQPSelectQuery_(SqliteConnector& conn, bool legacy_traml_id, bool stable_order) const;
218
226 void readPQPInput_(const char* filename, std::vector<TSVTransition>& transition_list, bool legacy_traml_id = false);
227
239 void streamPQPToLightTargetedExperiment_(const char* filename, OpenSwath::LightTargetedExperiment& exp, bool legacy_traml_id = false);
240
246 void writePQPOutput_(const char* filename, OpenMS::TargetedExperiment& targeted_exp);
247
248public:
249
251
253
257
264 void convertTargetedExperimentToPQP(const char* filename, OpenMS::TargetedExperiment& targeted_exp);
265
272 void convertLightTargetedExperimentToPQP(const char* filename, const OpenSwath::LightTargetedExperiment& targeted_exp);
273
281 void convertPQPToTargetedExperiment(const char* filename, OpenMS::TargetedExperiment& targeted_exp, bool legacy_traml_id = false);
282
290 void convertPQPToTargetedExperiment(const char* filename, OpenSwath::LightTargetedExperiment& targeted_exp, bool legacy_traml_id = false);
291
297 std::unordered_map<std::string, std::string> getPQPIDToTraMLIDMap(const char* filename, std::string tableName);
298
299 };
300}
File adapter for Sqlite files.
Definition SqliteConnector.h:41
A description of a targeted experiment containing precursor and production ions.
Definition TargetedExperiment.h:40
This class supports reading and writing of PQP files.
Definition TransitionPQPFile.h:192
std::unordered_map< std::string, std::string > getPQPIDToTraMLIDMap(const char *filename, std::string tableName)
Creates an undordered map between the traml_id and the pqp id.
std::string select_sql
The complete SQL SELECT query.
Definition TransitionPQPFile.h:199
~TransitionPQPFile() override
Destructor.
void convertPQPToTargetedExperiment(const char *filename, OpenMS::TargetedExperiment &targeted_exp, bool legacy_traml_id=false)
Read in a PQP file and construct a targeted experiment (TraML structure)
void writePQPOutput_(const char *filename, OpenMS::TargetedExperiment &targeted_exp)
Write a TargetedExperiment to a file.
bool compound_exists
Whether compound mappings exist.
Definition TransitionPQPFile.h:202
void convertPQPToTargetedExperiment(const char *filename, OpenSwath::LightTargetedExperiment &targeted_exp, bool legacy_traml_id=false)
Read in a PQP file and construct a targeted experiment (Light transition structure)
void convertTargetedExperimentToPQP(const char *filename, OpenMS::TargetedExperiment &targeted_exp)
Write out a targeted experiment (TraML structure) into a PQP file.
void streamPQPToLightTargetedExperiment_(const char *filename, OpenSwath::LightTargetedExperiment &exp, bool legacy_traml_id=false)
Stream PQP directly to LightTargetedExperiment (memory-efficient)
void convertLightTargetedExperimentToPQP(const char *filename, const OpenSwath::LightTargetedExperiment &targeted_exp)
Write out a targeted experiment (Light structure) into a PQP file.
bool peptidoforms_exists
Whether transition-to-peptide mappings exist.
Definition TransitionPQPFile.h:203
TransitionPQPFile()
Constructor.
bool drift_time_exists
Whether LIBRARY_DRIFT_TIME column exists.
Definition TransitionPQPFile.h:200
void readPQPInput_(const char *filename, std::vector< TSVTransition > &transition_list, bool legacy_traml_id=false)
Read PQP SQLite file.
bool gene_exists
Whether GENE table exists.
Definition TransitionPQPFile.h:201
PQPSqlQueryInfo buildPQPSelectQuery_(SqliteConnector &conn, bool legacy_traml_id, bool stable_order) const
Build the SQL query for reading PQP transitions.
Holds information about a PQP SQL query and optional column availability.
Definition TransitionPQPFile.h:198
Definition TransitionTSVFile.h:121
Main OpenMS namespace.
Definition openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/ISpectrumAccess.h:19
Definition TransitionExperiment.h:369