ChromatogramPeak Class Reference

A 1-dimensional raw data point or peak for chromatograms. More...

#include <OpenMS/KERNEL/ChromatogramPeak.h>

Collaboration diagram for ChromatogramPeak:

Classes
struct	IntensityLess
	Comparator by intensity. More...
struct	PositionLess
	Comparator by position. As this class has dimension 1, this is basically an alias for RTLess. More...
struct	RTLess
	Comparator by RT position. More...

Public Types
Type definitions
enum	{ DIMENSION = 1 }
	Dimension. More...
typedef double	IntensityType
	Intensity type. More...
typedef DPosition< 1 >	PositionType
	Position type. More...
typedef double	CoordinateType
	Coordinate type. More...

Public Member Functions
Constructors and Destructor
	ChromatogramPeak ()
	Default constructor. More...
	ChromatogramPeak (const ChromatogramPeak &p)
	Copy constructor. More...
	ChromatogramPeak (const PositionType retention_time, const IntensityType intensity)
	Constructor with position and intensity. More...
	~ChromatogramPeak ()
	Destructor. More...
Accessors
IntensityType	getIntensity () const
	Non-mutable access to the data point intensity (height) More...
void	setIntensity (IntensityType intensity)
	Mutable access to the data point intensity (height) More...
CoordinateType	getRT () const
	Non-mutable access to RT. More...
void	setRT (CoordinateType rt)
	Mutable access to RT. More...
CoordinateType	getPos () const
	Alias for getRT() More...
void	setPos (CoordinateType pos)
	Alias for setRT() More...
CoordinateType	getMZ () const
	Alias for getRT() More...
void	setMZ (CoordinateType rt)
	Alias for setRT() More...
PositionType const &	getPosition () const
	Non-mutable access to the position. More...
PositionType &	getPosition ()
	Mutable access to the position. More...
void	setPosition (PositionType const &position)
	Mutable access to the position. More...
ChromatogramPeak &	operator= (const ChromatogramPeak &rhs)
	Assignment operator. More...
bool	operator== (const ChromatogramPeak &rhs) const
	Equality operator. More...
bool	operator!= (const ChromatogramPeak &rhs) const
	Equality operator. More...

Protected Attributes
Comparator classes.
These classes implement binary predicates that can be used to compare two peaks with respect to their intensities, positions.
PositionType	position_
	The data point position. More...
IntensityType	intensity_
	The data point intensity. More...

Detailed Description

A 1-dimensional raw data point or peak for chromatograms.

This datastructure is intended for chromatograms.

Member Typedef Documentation

CoordinateType

typedef double CoordinateType

Coordinate type.

IntensityType

typedef double IntensityType

Intensity type.

PositionType

typedef DPosition<1> PositionType

Position type.

Member Enumeration Documentation

anonymous enum

anonymous enum

Dimension.

Enumerator
DIMENSION

Constructor & Destructor Documentation

ChromatogramPeak() [1/3]

ChromatogramPeak ( )

inline

Default constructor.

ChromatogramPeak() [2/3]

ChromatogramPeak ( const ChromatogramPeak &  p )

inline

Copy constructor.

ChromatogramPeak() [3/3]

ChromatogramPeak ( const PositionType  retention_time, const IntensityType  intensity  )

inline

Constructor with position and intensity.

~ChromatogramPeak()

~ChromatogramPeak ( )

inline

Destructor.

Note

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

Member Function Documentation

getIntensity()

IntensityType getIntensity ( ) const

inline

Non-mutable access to the data point intensity (height)

Referenced by ChromatogramPeak::IntensityLess::operator()().

getMZ()

CoordinateType getMZ ( ) const

inline

Alias for getRT()

getPos()

CoordinateType getPos ( ) const

inline

Alias for getRT()

Referenced by ChromatogramPeak::RTLess::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 ChromatogramPeak::PositionLess::operator()().

getRT()

CoordinateType getRT ( ) const

inline

Non-mutable access to RT.

Referenced by ChromatogramPeak::RTLess::operator()().

operator!=()

bool operator!= ( const ChromatogramPeak &  rhs ) const

inline

Equality operator.

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

operator=()

ChromatogramPeak& operator= ( const ChromatogramPeak &  rhs )

inline

Assignment operator.

References ChromatogramPeak::intensity_, and ChromatogramPeak::position_.

operator==()

bool operator== ( const ChromatogramPeak &  rhs ) const

inline

Equality operator.

References ChromatogramPeak::intensity_, and ChromatogramPeak::position_.

setIntensity()

void setIntensity ( IntensityType  intensity )

inline

Mutable access to the data point intensity (height)

Referenced by ChromatogramTools::convertSpectraToChromatograms().

setMZ()

void setMZ ( CoordinateType  rt )

inline

Alias for setRT()

setPos()

void setPos ( CoordinateType  pos )

inline

Alias for setRT()

setPosition()

void setPosition ( PositionType const &  position )

inline

Mutable access to the position.

setRT()

void setRT ( CoordinateType  rt )

inline

Mutable access to RT.

Referenced by ChromatogramTools::convertSpectraToChromatograms().

Member Data Documentation

intensity_

IntensityType intensity_

protected

The data point intensity.

Referenced by ChromatogramPeak::operator=(), and ChromatogramPeak::operator==().

position_

PositionType position_

protected

The data point position.

Referenced by ChromatogramPeak::operator=(), and ChromatogramPeak::operator==().