Description of the settings a MS Instrument was run with. More...

#include <OpenMS/METADATA/InstrumentSettings.h>

Inheritance diagram for InstrumentSettings:

Collaboration diagram for InstrumentSettings:

Public Types
enum	ScanMode { UNKNOWN , MASSSPECTRUM , MS1SPECTRUM , MSNSPECTRUM , SIM , SRM , CRM , CNG , CNL , PRECURSOR , EMC , TDF , EMR , EMISSION , ABSORPTION , SIZE_OF_SCANMODE }
	scan mode More...

Public Member Functions
	InstrumentSettings ()
	Constructor.

	InstrumentSettings (const InstrumentSettings &)=default
	Copy constructor.

	InstrumentSettings (InstrumentSettings &&)=default
	Move constructor.

	~InstrumentSettings ()
	Destructor.

InstrumentSettings &	operator= (const InstrumentSettings &)=default
	Assignment operator.

InstrumentSettings &	operator= (InstrumentSettings &&) &=default
	Move assignment operator.

bool	operator== (const InstrumentSettings &rhs) const
	Equality operator.

bool	operator!= (const InstrumentSettings &rhs) const
	Equality operator.

ScanMode	getScanMode () const
	returns the scan mode

void	setScanMode (ScanMode scan_mode)
	sets the scan mode

bool	getZoomScan () const
	return if this scan is a zoom (enhanced resolution) scan

void	setZoomScan (bool zoom_scan)
	sets if this scan is a zoom (enhanced resolution) scan

IonSource::Polarity	getPolarity () const
	returns the polarity

void	setPolarity (IonSource::Polarity polarity)
	sets the polarity

const std::vector< ScanWindow > &	getScanWindows () const
	returns a const reference to the m/z scan windows

std::vector< ScanWindow > &	getScanWindows ()
	returns a mutable reference to the m/z scan windows

void	setScanWindows (std::vector< ScanWindow > scan_windows)
	sets the m/z scan windows

Public Member Functions inherited from MetaInfoInterface
	MetaInfoInterface ()=default
	Constructor.

	MetaInfoInterface (const MetaInfoInterface &rhs)
	Copy constructor.

	MetaInfoInterface (MetaInfoInterface &&) noexcept
	Move constructor.

	~MetaInfoInterface ()
	Destructor.

MetaInfoInterface &	operator= (const MetaInfoInterface &rhs)
	Assignment operator.

MetaInfoInterface &	operator= (MetaInfoInterface &&) noexcept
	Move assignment operator.

void	swap (MetaInfoInterface &rhs)
	Swap contents.

bool	operator== (const MetaInfoInterface &rhs) const
	Equality operator.

bool	operator!= (const MetaInfoInterface &rhs) const
	Equality operator.

const DataValue &	getMetaValue (const String &name) const
	Returns the value corresponding to a string, or DataValue::EMPTY if not found.

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

const DataValue &	getMetaValue (UInt index) const
	Returns the value corresponding to the index, or DataValue::EMPTY if not found.

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

bool	metaValueExists (const String &name) const
	Returns whether an entry with the given name exists.

bool	metaValueExists (UInt index) const
	Returns whether an entry with the given index exists.

void	setMetaValue (const String &name, const DataValue &value)
	Sets the DataValue corresponding to a name.

void	setMetaValue (UInt index, const DataValue &value)
	Sets the DataValue corresponding to an index.

void	removeMetaValue (const String &name)
	Removes the DataValue corresponding to `name` if it exists.

void	removeMetaValue (UInt index)
	Removes the DataValue corresponding to `index` if it exists.

void	addMetaValues (const MetaInfoInterface &from)

void	getKeys (std::vector< String > &keys) const
	Fills the given vector with a list of all keys for which a value is set.

void	getKeys (std::vector< UInt > &keys) const
	Fills the given vector with a list of all keys for which a value is set.

bool	isMetaEmpty () const
	Returns if the MetaInfo is empty.

void	clearMetaInfo ()
	Removes all meta values.

Static Public Member Functions
static StringList	getAllNamesOfScanMode ()
	Returns all scan mode names known to OpenMS.

static const std::string &	scanModeToString (ScanMode mode)
	Convert a ScanMode enum to its string representation.

static ScanMode	toScanMode (const std::string &name)
	Convert a string to a ScanMode enum.

Static Public Member Functions inherited from MetaInfoInterface
static MetaInfoRegistry &	metaRegistry ()
	Returns a reference to the MetaInfoRegistry.

Static Public Attributes
static const std::string	NamesOfScanMode [SIZE_OF_SCANMODE]
	Names of scan modes.

Protected Attributes
ScanMode	scan_mode_

bool	zoom_scan_

IonSource::Polarity	polarity_

std::vector< ScanWindow >	scan_windows_

Protected Attributes inherited from MetaInfoInterface
MetaInfo *	meta_ = nullptr
	Pointer to the MetaInfo object.

Additional Inherited Members
Protected Member Functions inherited from MetaInfoInterface
void	createIfNotExists_ ()
	Creates the MetaInfo object if it does not exist.

Detailed Description

Description of the settings a MS Instrument was run with.

Member Enumeration Documentation

◆ ScanMode

enum ScanMode

scan mode

Enumerator
UNKNOWN	Unknown scan method.
MASSSPECTRUM	general spectrum type
MS1SPECTRUM	full scan mass spectrum, is a "mass spectrum" Synonyms: 'full spectrum', 'Q1 spectrum', 'Q3 spectrum', 'Single-Stage Mass Spectrometry'
MSNSPECTRUM	MS2+ mass spectrum, is a "mass spectrum".
SIM	Selected ion monitoring scan Synonyms: 'Multiple ion monitoring scan', 'SIM scan', 'MIM scan'.
SRM	Selected reaction monitoring scan Synonyms: 'Multiple reaction monitoring scan', 'SRM scan', 'MRM scan'.
CRM	Consecutive reaction monitoring scan Synonyms: 'CRM scan'.
CNG	Constant neutral gain scan Synonyms: 'CNG scan'.
CNL	Constant neutral loss scan Synonyms: 'CNG scan'.
PRECURSOR	Precursor ion scan.
EMC	Enhanced multiply charged scan.
TDF	Time-delayed fragmentation scan.
EMR	Electromagnetic radiation scan Synonyms: 'EMR spectrum'.
EMISSION	Emission scan.
ABSORPTION	Absorption scan.
SIZE_OF_SCANMODE

Constructor & Destructor Documentation

◆ InstrumentSettings() [1/3]

InstrumentSettings ( )

Constructor.

◆ InstrumentSettings() [2/3]

InstrumentSettings ( const InstrumentSettings & )

default

Copy constructor.

◆ InstrumentSettings() [3/3]

InstrumentSettings ( InstrumentSettings && )

default

Move constructor.

◆ ~InstrumentSettings()

~InstrumentSettings ( )

Destructor.

Member Function Documentation

◆ getAllNamesOfScanMode()

static StringList getAllNamesOfScanMode ( )

static

Returns all scan mode names known to OpenMS.

Returns: List of all scan mode names

◆ getPolarity()

IonSource::Polarity getPolarity ( ) const

returns the polarity

Referenced by HasScanPolarity< SpectrumType >::operator()().

◆ getScanMode()

ScanMode getScanMode ( ) const

returns the scan mode

Referenced by HasScanMode< SpectrumType >::operator()().

◆ getScanWindows() [1/2]

std::vector< ScanWindow > & getScanWindows ( )

returns a mutable reference to the m/z scan windows

◆ getScanWindows() [2/2]

const std::vector< ScanWindow > & getScanWindows ( ) const

returns a const reference to the m/z scan windows

◆ getZoomScan()

bool getZoomScan ( ) const

return if this scan is a zoom (enhanced resolution) scan

Referenced by IsZoomSpectrum< SpectrumType >::operator()().

◆ operator!=()

bool operator!= ( const InstrumentSettings & rhs ) const

Equality operator.

◆ operator=() [1/2]

InstrumentSettings & operator= ( const InstrumentSettings & )

default

Assignment operator.

◆ operator=() [2/2]

InstrumentSettings & operator= ( InstrumentSettings && ) &

default

Move assignment operator.

◆ operator==()

bool operator== ( const InstrumentSettings & rhs ) const

Equality operator.

◆ scanModeToString()

static const std::string & scanModeToString ( ScanMode mode )

static

Convert a ScanMode enum to its string representation.

Parameters

mode	The scan mode enum value to convert

Returns: Reference to the string representation

Exceptions

Exception::InvalidValue if mode is SIZE_OF_SCANMODE

◆ setPolarity()

void setPolarity ( IonSource::Polarity polarity )

sets the polarity

Referenced by XMassFile::load().

◆ setScanMode()

void setScanMode ( ScanMode scan_mode )

sets the scan mode

Referenced by XMassFile::load().

◆ setScanWindows()

void setScanWindows ( std::vector< ScanWindow > scan_windows )

sets the m/z scan windows

◆ setZoomScan()

void setZoomScan ( bool zoom_scan )

sets if this scan is a zoom (enhanced resolution) scan

Referenced by XMassFile::load().

◆ toScanMode()

static ScanMode toScanMode ( const std::string & name )

static

Convert a string to a ScanMode enum.

Parameters

name	The string name to convert

Returns: The corresponding ScanMode enum value

Exceptions

Exception::InvalidValue if name is not found in NamesOfScanMode[]

Member Data Documentation

◆ NamesOfScanMode

const std::string NamesOfScanMode[SIZE_OF_SCANMODE]

static

Names of scan modes.

◆ polarity_

IonSource::Polarity polarity_

protected

◆ scan_mode_

ScanMode scan_mode_

protected

◆ scan_windows_

std::vector<ScanWindow> scan_windows_

protected

◆ zoom_scan_

bool zoom_scan_

protected

Public Types

Public Member Functions

Static Public Member Functions

Static Public Attributes

Protected Attributes

Additional Inherited Members

Detailed Description

Member Enumeration Documentation

◆ ScanMode

Constructor & Destructor Documentation

◆ InstrumentSettings() [1/3]

◆ InstrumentSettings() [2/3]

◆ InstrumentSettings() [3/3]

◆ ~InstrumentSettings()

Member Function Documentation

◆ getAllNamesOfScanMode()

◆ getPolarity()

◆ getScanMode()

◆ getScanWindows() [1/2]

◆ getScanWindows() [2/2]

◆ getZoomScan()

◆ operator!=()

◆ operator=() [1/2]

◆ operator=() [2/2]

◆ operator==()

◆ scanModeToString()

◆ setPolarity()

◆ setScanMode()

◆ setScanWindows()

◆ setZoomScan()

◆ toScanMode()

Member Data Documentation

◆ NamesOfScanMode

◆ polarity_

◆ scan_mode_

◆ scan_windows_

◆ zoom_scan_