OpenMS
ExperimentalSettings Class Reference

Description of the experimental settings. More...

#include <OpenMS/METADATA/ExperimentalSettings.h>

Inheritance diagram for ExperimentalSettings:
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Collaboration diagram for ExperimentalSettings:
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Public Member Functions

 ExperimentalSettings ()=default
 Constructor. More...
 
 ExperimentalSettings (const ExperimentalSettings &)=default
 Copy constructor. More...
 
 ExperimentalSettings (ExperimentalSettings &&)=default
 Move constructor. More...
 
 ~ExperimentalSettings () override
 Destructor. More...
 
ExperimentalSettingsoperator= (const ExperimentalSettings &)=default
 Assignment operator. More...
 
ExperimentalSettingsoperator= (ExperimentalSettings &&)=default
 Move assignment operator. More...
 
bool operator== (const ExperimentalSettings &rhs) const
 Equality operator. More...
 
bool operator!= (const ExperimentalSettings &rhs) const
 Equality operator. More...
 
const SamplegetSample () const
 returns a const reference to the sample description More...
 
SamplegetSample ()
 returns a mutable reference to the sample description More...
 
void setSample (const Sample &sample)
 sets the sample description More...
 
const std::vector< SourceFile > & getSourceFiles () const
 returns a const reference to the source data file More...
 
std::vector< SourceFile > & getSourceFiles ()
 returns a mutable reference to the source data file More...
 
void setSourceFiles (const std::vector< SourceFile > &source_files)
 sets the source data file More...
 
const std::vector< ContactPerson > & getContacts () const
 returns a const reference to the list of contact persons More...
 
std::vector< ContactPerson > & getContacts ()
 returns a mutable reference to the list of contact persons More...
 
void setContacts (const std::vector< ContactPerson > &contacts)
 sets the list of contact persons More...
 
const InstrumentgetInstrument () const
 returns a const reference to the MS instrument description More...
 
InstrumentgetInstrument ()
 returns a mutable reference to the MS instrument description More...
 
void setInstrument (const Instrument &instrument)
 sets the MS instrument description More...
 
const HPLCgetHPLC () const
 returns a const reference to the description of the HPLC run More...
 
HPLCgetHPLC ()
 returns a mutable reference to the description of the HPLC run More...
 
void setHPLC (const HPLC &hplc)
 sets the description of the HPLC run More...
 
const DateTimegetDateTime () const
 returns the date the experiment was performed More...
 
void setDateTime (const DateTime &date)
 sets the date the experiment was performed More...
 
const StringgetComment () const
 returns the free-text comment More...
 
void setComment (const String &comment)
 sets the free-text comment More...
 
const std::vector< ProteinIdentification > & getProteinIdentifications () const
 returns a const reference to the protein ProteinIdentification vector More...
 
std::vector< ProteinIdentification > & getProteinIdentifications ()
 returns a mutable reference to the protein ProteinIdentification vector More...
 
void setProteinIdentifications (const std::vector< ProteinIdentification > &protein_identifications)
 sets the protein ProteinIdentification vector More...
 
const StringgetFractionIdentifier () const
 returns fraction identifier More...
 
void setFractionIdentifier (const String &fraction_identifier)
 sets the fraction identifier More...
 
- Public Member Functions inherited from MetaInfoInterface
 MetaInfoInterface ()
 Constructor. More...
 
 MetaInfoInterface (const MetaInfoInterface &rhs)
 Copy constructor. More...
 
 MetaInfoInterface (MetaInfoInterface &&) noexcept
 Move constructor. More...
 
 ~MetaInfoInterface ()
 Destructor. More...
 
MetaInfoInterfaceoperator= (const MetaInfoInterface &rhs)
 Assignment operator. More...
 
MetaInfoInterfaceoperator= (MetaInfoInterface &&) noexcept
 Move assignment operator. More...
 
void swap (MetaInfoInterface &rhs)
 Swap contents. More...
 
bool operator== (const MetaInfoInterface &rhs) const
 Equality operator. More...
 
bool operator!= (const MetaInfoInterface &rhs) const
 Equality operator. More...
 
const DataValuegetMetaValue (const String &name) const
 Returns the value corresponding to a string, or DataValue::EMPTY if not found. More...
 
DataValue getMetaValue (const String &name, const DataValue &default_value) const
 Returns the value corresponding to a string, or a default value (e.g.: DataValue::EMPTY) if not found
More...
 
const DataValuegetMetaValue (UInt index) const
 Returns the value corresponding to the index, or DataValue::EMPTY if not found. More...
 
DataValue getMetaValue (UInt index, const DataValue &default_value) const
 Returns the value corresponding to the index, or a default value (e.g.: DataValue::EMPTY) if not found
More...
 
bool metaValueExists (const String &name) const
 Returns whether an entry with the given name exists. More...
 
bool metaValueExists (UInt index) const
 Returns whether an entry with the given index exists. More...
 
void setMetaValue (const String &name, const DataValue &value)
 Sets the DataValue corresponding to a name. More...
 
void setMetaValue (UInt index, const DataValue &value)
 Sets the DataValue corresponding to an index. More...
 
void removeMetaValue (const String &name)
 Removes the DataValue corresponding to name if it exists. More...
 
void removeMetaValue (UInt index)
 Removes the DataValue corresponding to index if it exists. More...
 
void addMetaValues (const MetaInfoInterface &from)
 function to copy all meta values from one object to this one More...
 
void getKeys (std::vector< String > &keys) const
 Fills the given vector with a list of all keys for which a value is set. More...
 
void getKeys (std::vector< UInt > &keys) const
 Fills the given vector with a list of all keys for which a value is set. More...
 
bool isMetaEmpty () const
 Returns if the MetaInfo is empty. More...
 
void clearMetaInfo ()
 Removes all meta values. More...
 
- Public Member Functions inherited from DocumentIdentifier
 DocumentIdentifier ()
 Default constructor. More...
 
 DocumentIdentifier (const DocumentIdentifier &)=default
 Copy constructor. More...
 
 DocumentIdentifier (DocumentIdentifier &&)=default
 Move constructor. More...
 
virtual ~DocumentIdentifier ()
 Destructor. More...
 
DocumentIdentifieroperator= (const DocumentIdentifier &)=default
 Assignment operator. More...
 
DocumentIdentifieroperator= (DocumentIdentifier &&) &=default
 Move assignment operator. More...
 
bool operator== (const DocumentIdentifier &rhs) const
 Equality operator. More...
 
void setIdentifier (const String &id)
 set document identifier (e.g. an LSID) More...
 
const StringgetIdentifier () const
 retrieve document identifier (e.g. an LSID) More...
 
void swap (DocumentIdentifier &from)
 exchange content with from More...
 
void setLoadedFilePath (const String &file_name)
 set the file_name_ according to absolute path of the file loaded from preferably done whilst loading More...
 
const StringgetLoadedFilePath () const
 get the file_name_ which is the absolute path to the file loaded from More...
 
void setLoadedFileType (const String &file_name)
 set the file_type according to the type of the file loaded from (see FileHandler::Type) preferably done whilst loading More...
 
const FileTypes::TypegetLoadedFileType () const
 get the file_type (e.g. featureXML, consensusXML, mzData, mzXML, mzML, ...) of the file loaded from More...
 

Protected Attributes

Sample sample_
 
std::vector< SourceFilesource_files_
 
std::vector< ContactPersoncontacts_
 
Instrument instrument_
 
HPLC hplc_
 
DateTime datetime_
 
String comment_
 
std::vector< ProteinIdentificationprotein_identifications_
 
String fraction_identifier_
 
- Protected Attributes inherited from MetaInfoInterface
MetaInfometa_
 Pointer to the MetaInfo object (0 by default) More...
 
- Protected Attributes inherited from DocumentIdentifier
String id_
 the ID (e.g. LSID) More...
 
String file_path_
 the path to the loaded file More...
 
FileTypes::Type file_type_
 the type of the loaded file More...
 

Additional Inherited Members

- Static Public Member Functions inherited from MetaInfoInterface
static MetaInfoRegistrymetaRegistry ()
 Returns a reference to the MetaInfoRegistry. More...
 
- Protected Member Functions inherited from MetaInfoInterface
void createIfNotExists_ ()
 Creates the MetaInfo object if it does not exist. More...
 

Detailed Description

Description of the experimental settings.

These settings are valid for the whole experiment. See SpectrumSettings for settings which are specific to an MSSpectrum. See ChromatogramSettings for settings which are specific to an MSChromatogram.

Constructor & Destructor Documentation

◆ ExperimentalSettings() [1/3]

ExperimentalSettings ( )
default

Constructor.

◆ ExperimentalSettings() [2/3]

Copy constructor.

◆ ExperimentalSettings() [3/3]

Move constructor.

◆ ~ExperimentalSettings()

~ExperimentalSettings ( )
override

Destructor.

Member Function Documentation

◆ getComment()

const String& getComment ( ) const

returns the free-text comment

◆ getContacts() [1/2]

std::vector<ContactPerson>& getContacts ( )

returns a mutable reference to the list of contact persons

◆ getContacts() [2/2]

const std::vector<ContactPerson>& getContacts ( ) const

returns a const reference to the list of contact persons

◆ getDateTime()

const DateTime& getDateTime ( ) const

returns the date the experiment was performed

◆ getFractionIdentifier()

const String& getFractionIdentifier ( ) const

returns fraction identifier

◆ getHPLC() [1/2]

HPLC& getHPLC ( )

returns a mutable reference to the description of the HPLC run

◆ getHPLC() [2/2]

const HPLC& getHPLC ( ) const

returns a const reference to the description of the HPLC run

◆ getInstrument() [1/2]

Instrument& getInstrument ( )

returns a mutable reference to the MS instrument description

◆ getInstrument() [2/2]

const Instrument& getInstrument ( ) const

returns a const reference to the MS instrument description

Referenced by XMassFile::importExperimentalSettings().

◆ getProteinIdentifications() [1/2]

std::vector<ProteinIdentification>& getProteinIdentifications ( )

returns a mutable reference to the protein ProteinIdentification vector

◆ getProteinIdentifications() [2/2]

const std::vector<ProteinIdentification>& getProteinIdentifications ( ) const

◆ getSample() [1/2]

Sample& getSample ( )

returns a mutable reference to the sample description

◆ getSample() [2/2]

const Sample& getSample ( ) const

returns a const reference to the sample description

◆ getSourceFiles() [1/2]

std::vector<SourceFile>& getSourceFiles ( )

returns a mutable reference to the source data file

◆ getSourceFiles() [2/2]

const std::vector<SourceFile>& getSourceFiles ( ) const

returns a const reference to the source data file

Referenced by TOPPFLASHDeconv::main_().

◆ operator!=()

bool operator!= ( const ExperimentalSettings rhs) const

Equality operator.

◆ operator=() [1/2]

ExperimentalSettings& operator= ( const ExperimentalSettings )
default

Assignment operator.

◆ operator=() [2/2]

ExperimentalSettings& operator= ( ExperimentalSettings &&  )
default

Move assignment operator.

◆ operator==()

bool operator== ( const ExperimentalSettings rhs) const

Equality operator.

◆ setComment()

void setComment ( const String comment)

sets the free-text comment

◆ setContacts()

void setContacts ( const std::vector< ContactPerson > &  contacts)

sets the list of contact persons

◆ setDateTime()

void setDateTime ( const DateTime date)

sets the date the experiment was performed

Referenced by XMassFile::importExperimentalSettings().

◆ setFractionIdentifier()

void setFractionIdentifier ( const String fraction_identifier)

sets the fraction identifier

◆ setHPLC()

void setHPLC ( const HPLC hplc)

sets the description of the HPLC run

◆ setInstrument()

void setInstrument ( const Instrument instrument)

sets the MS instrument description

◆ setProteinIdentifications()

void setProteinIdentifications ( const std::vector< ProteinIdentification > &  protein_identifications)

sets the protein ProteinIdentification vector

◆ setSample()

void setSample ( const Sample sample)

sets the sample description

◆ setSourceFiles()

void setSourceFiles ( const std::vector< SourceFile > &  source_files)

sets the source data file

Member Data Documentation

◆ comment_

String comment_
protected

◆ contacts_

std::vector<ContactPerson> contacts_
protected

◆ datetime_

DateTime datetime_
protected

◆ fraction_identifier_

String fraction_identifier_
protected

◆ hplc_

HPLC hplc_
protected

◆ instrument_

Instrument instrument_
protected

◆ protein_identifications_

std::vector<ProteinIdentification> protein_identifications_
protected

◆ sample_

Sample sample_
protected

◆ source_files_

std::vector<SourceFile> source_files_
protected