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ExperimentalSettings.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: Marc Sturm $
7// --------------------------------------------------------------------------
8
9#pragma once
10
19
20#include <vector>
21#include <map>
22
23namespace OpenMS
24{
34 class OPENMS_DLLAPI ExperimentalSettings :
35 public MetaInfoInterface,
37 {
38public:
39
48
53
55 bool operator==(const ExperimentalSettings & rhs) const;
57 bool operator!=(const ExperimentalSettings & rhs) const;
58
60 const Sample & getSample() const;
64 void setSample(const Sample & sample);
65
67 const std::vector<SourceFile> & getSourceFiles() const;
69 std::vector<SourceFile> & getSourceFiles();
71 void setSourceFiles(const std::vector<SourceFile> & source_files);
72
74 const std::vector<ContactPerson> & getContacts() const;
76 std::vector<ContactPerson> & getContacts();
78 void setContacts(const std::vector<ContactPerson> & contacts);
79
81 const Instrument & getInstrument() const;
85 void setInstrument(const Instrument & instrument);
86
90 const std::map<std::string, Instrument>& getInstrumentConfigurations() const;
92 std::map<std::string, Instrument>& getInstrumentConfigurations();
94 void setInstrumentConfigurations(const std::map<std::string, Instrument>& configurations);
95
97 const HPLC & getHPLC() const;
101 void setHPLC(const HPLC & hplc);
102
104 const DateTime & getDateTime() const;
106 void setDateTime(const DateTime & date);
107
109 const std::string & getComment() const;
111 void setComment(const std::string & comment);
112
114 const std::string & getFractionIdentifier() const;
116 void setFractionIdentifier(const std::string & fraction_identifier);
117
118protected:
120 std::vector<SourceFile> source_files_;
121 std::vector<ContactPerson> contacts_;
123 std::map<std::string, Instrument> instrument_configurations_;
126 std::string comment_;
128 };
129
131 OPENMS_DLLAPI std::ostream & operator<<(std::ostream & os, const ExperimentalSettings & exp);
132
133} // namespace OpenMS
134
DateTime Class.
Definition DateTime.h:31
Manage source document information.
Definition DocumentIdentifier.h:30
Description of the experimental settings.
Definition ExperimentalSettings.h:37
void setSample(const Sample &sample)
sets the sample description
const Instrument & getInstrument() const
returns a const reference to the MS instrument description
bool operator!=(const ExperimentalSettings &rhs) const
Equality operator.
std::string fraction_identifier_
Definition ExperimentalSettings.h:127
void setFractionIdentifier(const std::string &fraction_identifier)
sets the fraction identifier
const std::map< std::string, Instrument > & getInstrumentConfigurations() const
bool operator==(const ExperimentalSettings &rhs) const
Equality operator.
const std::vector< SourceFile > & getSourceFiles() const
returns a const reference to the source data file
Sample sample_
Definition ExperimentalSettings.h:119
void setContacts(const std::vector< ContactPerson > &contacts)
sets the list of contact persons
Instrument & getInstrument()
returns a mutable reference to the MS instrument description
Sample & getSample()
returns a mutable reference to the sample description
std::map< std::string, Instrument > & getInstrumentConfigurations()
Mutable instrument configurations.
HPLC hplc_
Definition ExperimentalSettings.h:124
const Sample & getSample() const
returns a const reference to the sample description
std::string comment_
Definition ExperimentalSettings.h:126
void setInstrumentConfigurations(const std::map< std::string, Instrument > &configurations)
Replace instrument configurations.
Instrument instrument_
Definition ExperimentalSettings.h:122
std::vector< SourceFile > source_files_
Definition ExperimentalSettings.h:120
HPLC & getHPLC()
returns a mutable reference to the description of the HPLC run
std::vector< ContactPerson > & getContacts()
returns a mutable reference to the list of contact persons
void setInstrument(const Instrument &instrument)
sets the MS instrument description
void setHPLC(const HPLC &hplc)
sets the description of the HPLC run
std::vector< SourceFile > & getSourceFiles()
returns a mutable reference to the source data file
const HPLC & getHPLC() const
returns a const reference to the description of the HPLC run
std::map< std::string, Instrument > instrument_configurations_
Definition ExperimentalSettings.h:123
ExperimentalSettings & operator=(const ExperimentalSettings &)=default
Assignment operator.
const std::vector< ContactPerson > & getContacts() const
returns a const reference to the list of contact persons
ExperimentalSettings(ExperimentalSettings &&)=default
Move constructor.
const DateTime & getDateTime() const
returns the date the experiment was performed
void setSourceFiles(const std::vector< SourceFile > &source_files)
sets the source data file
const std::string & getComment() const
returns the free-text comment
void setDateTime(const DateTime &date)
sets the date the experiment was performed
DateTime datetime_
Definition ExperimentalSettings.h:125
void setComment(const std::string &comment)
sets the free-text comment
const std::string & getFractionIdentifier() const
returns fraction identifier
std::vector< ContactPerson > contacts_
Definition ExperimentalSettings.h:121
ExperimentalSettings & operator=(ExperimentalSettings &&)=default
Move assignment operator.
ExperimentalSettings(const ExperimentalSettings &)=default
Copy constructor.
ExperimentalSettings()=default
Constructor.
~ExperimentalSettings() override
Destructor.
Representation of a HPLC experiment.
Definition HPLC.h:25
Description of a MS instrument.
Definition Instrument.h:40
Interface for classes that can store arbitrary meta information (Type-Name-Value tuples).
Definition MetaInfoInterface.h:35
Meta information about the sample.
Definition Sample.h:30
Main OpenMS namespace.
Definition openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/ISpectrumAccess.h:19
std::ostream & operator<<(std::ostream &os, const AccurateMassSearchResult &amsr)