A 2-dimensional raw data point or peak. More...

#include <OpenMS/KERNEL/Peak2D.h>

Inheritance diagram for Peak2D:

Collaboration diagram for Peak2D:

Classes
struct	IntensityLess

struct	MZLess
	Comparator by m/z position. More...

struct	PositionLess
	Comparator by position. Lexicographical comparison (first RT then m/z) is done. More...

struct	RTLess
	Comparator by RT position. More...

Public Types
Type definitions
typedef float	IntensityType
	Intensity type. More...

typedef double	CoordinateType
	Coordinate type (of the position) More...

typedef DPosition< 2 >	PositionType
	Position type. More...

Public Member Functions
bool	operator== (const Peak2D &rhs) const
	Equality operator. More...

bool	operator!= (const Peak2D &rhs) const
	Equality operator. More...

Constructors and Destructor
Default constructor
	Peak2D ()=default

	Peak2D (const PositionType &pos, const IntensityType in)
	Member constructor. More...

	Peak2D (const Peak2D &p)=default
	Copy constructor. More...

	Peak2D (Peak2D &&) noexcept=default
	Move constructor. More...

Peak2D &	operator= (const Peak2D &rhs)=default
	Assignment operator. More...

Peak2D &	operator= (Peak2D &&) noexcept=default
	Move assignment operator. More...

	~Peak2D () noexcept=default
	Destructor. More...

Accessors
Non-mutable access to the data point intensity (height)
IntensityType	getIntensity () const

void	setIntensity (IntensityType intensity)
	Sets data point intensity (height) More...

PositionType const &	getPosition () const
	Non-mutable access to the position. More...

PositionType &	getPosition ()
	Mutable access to the position. More...

void	setPosition (const PositionType &position)
	Mutable access to the position. More...

CoordinateType	getMZ () const
	Returns the m/z coordinate (index 1) More...

void	setMZ (CoordinateType coordinate)
	Mutable access to the m/z coordinate (index 1) More...

CoordinateType	getRT () const
	Returns the RT coordinate (index 0) More...

void	setRT (CoordinateType coordinate)
	Mutable access to the RT coordinate (index 0) More...

Protected Attributes
PositionType	position_ {}
	The data point position. More...

IntensityType	intensity_ {}
	The data point intensity. More...

Friends
std::ostream &	operator<< (std::ostream &os, const Peak2D &point)
	Print the contents to a stream. More...

Dimension descriptions
enum	DimensionDescription { RT = 0 , MZ = 1 , DIMENSION = 2 }
	This enum maps the symbolic names of the dimensions to numbers. More...

static char const *const	dimension_name_short_ [DIMENSION]
	Short name of the dimension (abbreviated form) More...

static char const *const	dimension_name_full_ [DIMENSION]
	Full name of the dimension (self-explanatory form) More...

static char const *const	dimension_unit_short_ [DIMENSION]
	Unit of measurement (abbreviated form) More...

static char const *const	dimension_unit_full_ [DIMENSION]
	Unit of measurement (self-explanatory form) More...

static char const *	shortDimensionName (UInt const dim)
	Short name of the dimension (abbreviated form) More...

static char const *	shortDimensionNameRT ()
	Short name of the dimension (abbreviated form) More...

static char const *	shortDimensionNameMZ ()
	Short name of the dimension (abbreviated form) More...

static char const *	fullDimensionName (UInt const dim)
	Full name of the dimension (self-explanatory form) More...

static char const *	fullDimensionNameRT ()
	Full name of the dimension (self-explanatory form) More...

static char const *	fullDimensionNameMZ ()
	Full name of the dimension (self-explanatory form) More...

static char const *	shortDimensionUnit (UInt const dim)
	Unit of measurement (abbreviated form) More...

static char const *	shortDimensionUnitRT ()
	Unit of measurement (abbreviated form) More...

static char const *	shortDimensionUnitMZ ()
	Unit of measurement (abbreviated form) More...

static char const *	fullDimensionUnit (UInt const dim)
	Unit of measurement (self-explanatory form) More...

static char const *	fullDimensionUnitRT ()
	Unit of measurement (self-explanatory form) More...

static char const *	fullDimensionUnitMZ ()
	Unit of measurement (self-explanatory form) More...

Detailed Description

A 2-dimensional raw data point or peak.

This data structure is intended for continuous data or peak data. If you want to annotated single peaks with meta data, use RichPeak2D instead.

Member Typedef Documentation

◆ CoordinateType

typedef double CoordinateType

Coordinate type (of the position)

◆ IntensityType

typedef float IntensityType

Intensity type.

◆ PositionType

typedef DPosition<2> PositionType

Position type.

Member Enumeration Documentation

◆ DimensionDescription

enum DimensionDescription

This enum maps the symbolic names of the dimensions to numbers.

Enumerator
RT	Retention time dimension id (0 if used as a const int)
MZ	Mass-to-charge dimension id (1 if used as a const int)
DIMENSION	Number of dimensions.

Constructor & Destructor Documentation

◆ Peak2D() [1/4]

Peak2D ( )

default

◆ Peak2D() [2/4]

Peak2D	(	const PositionType &	pos,
		const IntensityType	in
	)

inlineexplicit

Member constructor.

◆ Peak2D() [3/4]

Peak2D ( const Peak2D & p )

default

Copy constructor.

◆ Peak2D() [4/4]

Peak2D ( Peak2D && )

defaultnoexcept

Move constructor.

◆ ~Peak2D()

~Peak2D ( )

defaultnoexcept

Destructor.

Note: The destructor is non-virtual although many classes are derived from Peak2D. This is intentional, since otherwise we would "waste" space for a vtable pointer in each instance. Normally you should not derive other classes from Peak2D (unless you know what you are doing, of course).

Member Function Documentation

◆ fullDimensionName()

static char const* fullDimensionName ( UInt const dim )

static

Full name of the dimension (self-explanatory form)

◆ fullDimensionNameMZ()

static char const* fullDimensionNameMZ ( )

static

Full name of the dimension (self-explanatory form)

◆ fullDimensionNameRT()

static char const* fullDimensionNameRT ( )

static

Full name of the dimension (self-explanatory form)

◆ fullDimensionUnit()

static char const* fullDimensionUnit ( UInt const dim )

static

Unit of measurement (self-explanatory form)

◆ fullDimensionUnitMZ()

static char const* fullDimensionUnitMZ ( )

static

Unit of measurement (self-explanatory form)

◆ fullDimensionUnitRT()

static char const* fullDimensionUnitRT ( )

static

Unit of measurement (self-explanatory form)

◆ getIntensity()

IntensityType getIntensity ( ) const

inline

Referenced by DimINT::map(), Peak2D::IntensityLess::operator()(), InIntensityRange< PeakType >::operator()(), and MRMTransitionGroupPicker::pickTransitionGroup().

◆ getMZ()

CoordinateType getMZ ( ) const

inline

Returns the m/z coordinate (index 1)

References OpenMS::MZ.

Referenced by DimMZ::map(), SpectraMerger::SpectraDistance_::operator()(), and Peak2D::MZLess::operator()().

◆ getPosition() [1/2]

PositionType& getPosition ( )

inline

Mutable access to the position.

◆ getPosition() [2/2]

PositionType const& getPosition ( ) const

inline

Non-mutable access to the position.

Referenced by Peak2D::PositionLess::operator()(), and InMzRange< PeakType >::operator()().

◆ getRT()

CoordinateType getRT ( ) const

inline

Returns the RT coordinate (index 0)

References OpenMS::RT.

Referenced by DimRT::map(), SpectraMerger::SpectraDistance_::operator()(), FeatureFinderAlgorithmMetaboIdent::FeatureCompare::operator()(), FeatureFinderIdentificationAlgorithm::FeatureCompare::operator()(), and Peak2D::RTLess::operator()().

◆ operator!=()

bool operator!= ( const Peak2D & rhs ) const

inline

Equality operator.

References OpenMS::Internal::operator==().

◆ operator=() [1/2]

Peak2D& operator= ( const Peak2D & rhs )

default

Assignment operator.

Referenced by RichPeak2D::operator=().

◆ operator=() [2/2]

Peak2D& operator= ( Peak2D && )

defaultnoexcept

Move assignment operator.

◆ operator==()

bool operator== ( const Peak2D & rhs ) const

inline

Equality operator.

References Peak2D::intensity_, and Peak2D::position_.

Referenced by RichPeak2D::operator==().

◆ setIntensity()

void setIntensity ( IntensityType intensity )

inline

Sets data point intensity (height)

Referenced by MRMTransitionGroupPicker::createMRMFeature(), MsInspectFile::load(), SpecArrayFile::load(), MRMTransitionGroupPicker::pickFragmentChromatograms(), MRMTransitionGroupPicker::pickPrecursorChromatograms(), LinearResamplerAlign::populate_raster_(), and MRMTransitionGroup< ChromatogramType, TransitionType >::subset().

◆ setMZ()

void setMZ ( CoordinateType coordinate )

inline

Mutable access to the m/z coordinate (index 1)

References OpenMS::MZ.

Referenced by ChromatogramTools::convertChromatogramsToSpectra(), MsInspectFile::load(), SpecArrayFile::load(), SpectraMerger::mergeSpectraPrecursors(), MRMTransitionGroupPicker::pickFragmentChromatograms(), MRMTransitionGroupPicker::pickPrecursorChromatograms(), and LinearResamplerAlign::populate_raster_().

◆ setPosition()

void setPosition ( const PositionType & position )

inline

Mutable access to the position.

◆ setRT()

void setRT ( CoordinateType coordinate )

inline

Mutable access to the RT coordinate (index 0)

References OpenMS::RT.

Referenced by ChromatogramTools::convertSpectraToChromatograms(), MRMTransitionGroupPicker::createMRMFeature(), MsInspectFile::load(), SpecArrayFile::load(), SpectraMerger::mergeSpectraPrecursors(), MRMTransitionGroupPicker::pickFragmentChromatograms(), MRMTransitionGroupPicker::pickPrecursorChromatograms(), and MRMTransitionGroup< ChromatogramType, TransitionType >::subset().

◆ shortDimensionName()

static char const* shortDimensionName ( UInt const dim )

static

Short name of the dimension (abbreviated form)

◆ shortDimensionNameMZ()

static char const* shortDimensionNameMZ ( )

static

Short name of the dimension (abbreviated form)

◆ shortDimensionNameRT()

static char const* shortDimensionNameRT ( )

static

Short name of the dimension (abbreviated form)

◆ shortDimensionUnit()

static char const* shortDimensionUnit ( UInt const dim )

static

Unit of measurement (abbreviated form)

◆ shortDimensionUnitMZ()

static char const* shortDimensionUnitMZ ( )

static

Unit of measurement (abbreviated form)

◆ shortDimensionUnitRT()

static char const* shortDimensionUnitRT ( )

static

Unit of measurement (abbreviated form)

Friends And Related Function Documentation

◆ operator<<

std::ostream& operator<<	(	std::ostream &	os,
		const Peak2D &	point
	)

friend

Print the contents to a stream.

Member Data Documentation

◆ dimension_name_full_

char const* const dimension_name_full_[DIMENSION]

staticprotected

Full name of the dimension (self-explanatory form)

◆ dimension_name_short_

char const* const dimension_name_short_[DIMENSION]

staticprotected

Short name of the dimension (abbreviated form)

◆ dimension_unit_full_

char const* const dimension_unit_full_[DIMENSION]

staticprotected

Unit of measurement (self-explanatory form)

◆ dimension_unit_short_

char const* const dimension_unit_short_[DIMENSION]

staticprotected

Unit of measurement (abbreviated form)

◆ intensity_

IntensityType intensity_ {}

protected

The data point intensity.

Referenced by Peak2D::operator==().

◆ position_

PositionType position_ {}

protected

The data point position.

Referenced by Peak2D::operator==().

Classes

Public Types

Public Member Functions

Protected Attributes

Friends

Dimension descriptions

Detailed Description

Member Typedef Documentation

◆ CoordinateType

◆ IntensityType

◆ PositionType

Member Enumeration Documentation

◆ DimensionDescription

Constructor & Destructor Documentation

◆ Peak2D() [1/4]

◆ Peak2D() [2/4]

◆ Peak2D() [3/4]

◆ Peak2D() [4/4]

◆ ~Peak2D()

Member Function Documentation

◆ fullDimensionName()

◆ fullDimensionNameMZ()

◆ fullDimensionNameRT()

◆ fullDimensionUnit()

◆ fullDimensionUnitMZ()

◆ fullDimensionUnitRT()

◆ getIntensity()

◆ getMZ()

◆ getPosition() [1/2]

◆ getPosition() [2/2]

◆ getRT()

◆ operator!=()

◆ operator=() [1/2]

◆ operator=() [2/2]

◆ operator==()

◆ setIntensity()

◆ setMZ()

◆ setPosition()

◆ setRT()

◆ shortDimensionName()

◆ shortDimensionNameMZ()

◆ shortDimensionNameRT()

◆ shortDimensionUnit()

◆ shortDimensionUnitMZ()

◆ shortDimensionUnitRT()

Friends And Related Function Documentation

◆ operator<<

Member Data Documentation

◆ dimension_name_full_

◆ dimension_name_short_

◆ dimension_unit_full_

◆ dimension_unit_short_

◆ intensity_

◆ position_