OpenMS
ExperimentalSettings.h
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1 // Copyright (c) 2002-present, The OpenMS Team -- 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 
11 #include <OpenMS/METADATA/Sample.h>
13 #include <OpenMS/METADATA/HPLC.h>
19 
20 #include <vector>
21 
22 namespace OpenMS
23 {
33  class OPENMS_DLLAPI ExperimentalSettings :
34  public MetaInfoInterface,
35  public DocumentIdentifier
36  {
37 public:
38 
40  ExperimentalSettings() = default;
47 
52 
54  bool operator==(const ExperimentalSettings & rhs) const;
56  bool operator!=(const ExperimentalSettings & rhs) const;
57 
59  const Sample & getSample() const;
63  void setSample(const Sample & sample);
64 
66  const std::vector<SourceFile> & getSourceFiles() const;
68  std::vector<SourceFile> & getSourceFiles();
70  void setSourceFiles(const std::vector<SourceFile> & source_files);
71 
73  const std::vector<ContactPerson> & getContacts() const;
75  std::vector<ContactPerson> & getContacts();
77  void setContacts(const std::vector<ContactPerson> & contacts);
78 
80  const Instrument & getInstrument() const;
84  void setInstrument(const Instrument & instrument);
85 
87  const HPLC & getHPLC() const;
91  void setHPLC(const HPLC & hplc);
92 
94  const DateTime & getDateTime() const;
96  void setDateTime(const DateTime & date);
97 
99  const String & getComment() const;
101  void setComment(const String & comment);
102 
104  const std::vector<ProteinIdentification> & getProteinIdentifications() const;
106  std::vector<ProteinIdentification> & getProteinIdentifications();
108  void setProteinIdentifications(const std::vector<ProteinIdentification> & protein_identifications);
109 
111  const String & getFractionIdentifier() const;
113  void setFractionIdentifier(const String & fraction_identifier);
114 
115 protected:
117  std::vector<SourceFile> source_files_;
118  std::vector<ContactPerson> contacts_;
123  std::vector<ProteinIdentification> protein_identifications_;
125  };
126 
128  OPENMS_DLLAPI std::ostream & operator<<(std::ostream & os, const ExperimentalSettings & exp);
129 
130 } // namespace OpenMS
131 
DateTime Class.
Definition: DateTime.h:33
Manage source document information.
Definition: DocumentIdentifier.h:30
Description of the experimental settings.
Definition: ExperimentalSettings.h:36
void setSample(const Sample &sample)
sets the sample description
String comment_
Definition: ExperimentalSettings.h:122
const Sample & getSample() const
returns a const reference to the sample description
bool operator!=(const ExperimentalSettings &rhs) const
Equality operator.
const Instrument & getInstrument() const
returns a const reference to the MS instrument description
void setComment(const String &comment)
sets the free-text comment
bool operator==(const ExperimentalSettings &rhs) const
Equality operator.
std::vector< ContactPerson > & getContacts()
returns a mutable reference to the list of contact persons
Sample & getSample()
returns a mutable reference to the sample description
Sample sample_
Definition: ExperimentalSettings.h:116
void setContacts(const std::vector< ContactPerson > &contacts)
sets the list of contact persons
String fraction_identifier_
Definition: ExperimentalSettings.h:124
const HPLC & getHPLC() const
returns a const reference to the description of the HPLC run
ExperimentalSettings & operator=(const ExperimentalSettings &)=default
Assignment operator.
HPLC hplc_
Definition: ExperimentalSettings.h:120
std::vector< ProteinIdentification > & getProteinIdentifications()
returns a mutable reference to the protein ProteinIdentification vector
ExperimentalSettings & operator=(ExperimentalSettings &&)=default
Move assignment operator.
const String & getFractionIdentifier() const
returns fraction identifier
Instrument instrument_
Definition: ExperimentalSettings.h:119
void setProteinIdentifications(const std::vector< ProteinIdentification > &protein_identifications)
sets the protein ProteinIdentification vector
std::vector< SourceFile > source_files_
Definition: ExperimentalSettings.h:117
const std::vector< SourceFile > & getSourceFiles() const
returns a const reference to the source data file
void setInstrument(const Instrument &instrument)
sets the MS instrument description
void setFractionIdentifier(const String &fraction_identifier)
sets the fraction identifier
void setHPLC(const HPLC &hplc)
sets the description of the HPLC run
const std::vector< ProteinIdentification > & getProteinIdentifications() const
returns a const reference to the protein ProteinIdentification vector
const std::vector< ContactPerson > & getContacts() const
returns a const reference to the list of contact persons
ExperimentalSettings(ExperimentalSettings &&)=default
Move constructor.
Instrument & getInstrument()
returns a mutable reference to the MS instrument description
const String & getComment() const
returns the free-text comment
std::vector< ProteinIdentification > protein_identifications_
Definition: ExperimentalSettings.h:123
void setSourceFiles(const std::vector< SourceFile > &source_files)
sets the source data file
HPLC & getHPLC()
returns a mutable reference to the description of the HPLC run
void setDateTime(const DateTime &date)
sets the date the experiment was performed
std::vector< SourceFile > & getSourceFiles()
returns a mutable reference to the source data file
DateTime datetime_
Definition: ExperimentalSettings.h:121
const DateTime & getDateTime() const
returns the date the experiment was performed
std::vector< ContactPerson > contacts_
Definition: ExperimentalSettings.h:118
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:39
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:35
A more convenient string class.
Definition: String.h:34
Main OpenMS namespace.
Definition: openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/ISpectrumAccess.h:19
std::ostream & operator<<(std::ostream &os, const AccurateMassSearchResult &amsr)