OpenMS
InstrumentSettings Class Reference

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

#include <OpenMS/METADATA/InstrumentSettings.h>

Inheritance diagram for InstrumentSettings:
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Collaboration diagram for InstrumentSettings:
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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. More...
 
 InstrumentSettings (const InstrumentSettings &)=default
 Copy constructor. More...
 
 InstrumentSettings (InstrumentSettings &&)=default
 Move constructor. More...
 
 ~InstrumentSettings ()
 Destructor. More...
 
InstrumentSettingsoperator= (const InstrumentSettings &)=default
 Assignment operator. More...
 
InstrumentSettingsoperator= (InstrumentSettings &&) &=default
 Move assignment operator. More...
 
bool operator== (const InstrumentSettings &rhs) const
 Equality operator. More...
 
bool operator!= (const InstrumentSettings &rhs) const
 Equality operator. More...
 
ScanMode getScanMode () const
 returns the scan mode More...
 
void setScanMode (ScanMode scan_mode)
 sets the scan mode More...
 
bool getZoomScan () const
 return if this scan is a zoom (enhanced resolution) scan More...
 
void setZoomScan (bool zoom_scan)
 sets if this scan is a zoom (enhanced resolution) scan More...
 
IonSource::Polarity getPolarity () const
 returns the polarity More...
 
void setPolarity (IonSource::Polarity polarity)
 sets the polarity More...
 
const std::vector< ScanWindow > & getScanWindows () const
 returns a const reference to the m/z scan windows More...
 
std::vector< ScanWindow > & getScanWindows ()
 returns a mutable reference to the m/z scan windows More...
 
void setScanWindows (std::vector< ScanWindow > scan_windows)
 sets the m/z scan windows 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...
 

Static Public Attributes

static const std::string NamesOfScanMode [SIZE_OF_SCANMODE]
 Names of scan modes. More...
 

Protected Attributes

ScanMode scan_mode_
 
bool zoom_scan_
 
IonSource::Polarity polarity_
 
std::vector< ScanWindowscan_windows_
 
- Protected Attributes inherited from MetaInfoInterface
MetaInfometa_
 Pointer to the MetaInfo object (0 by default) 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 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]

Constructor.

◆ InstrumentSettings() [2/3]

InstrumentSettings ( const InstrumentSettings )
default

Copy constructor.

◆ InstrumentSettings() [3/3]

Move constructor.

◆ ~InstrumentSettings()

Destructor.

Member Function Documentation

◆ 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.

◆ 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().

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