SpectrumCheapDPCorr calculates an optimal alignment on stick spectra. More...

#include <OpenMS/COMPARISON/SpectrumCheapDPCorr.h>

Inheritance diagram for SpectrumCheapDPCorr:

Collaboration diagram for SpectrumCheapDPCorr:

Public Member Functions
	SpectrumCheapDPCorr ()
	default constructor More...

	SpectrumCheapDPCorr (const SpectrumCheapDPCorr &source)
	copy constructor More...

	~SpectrumCheapDPCorr () override
	destructor More...

SpectrumCheapDPCorr &	operator= (const SpectrumCheapDPCorr &source)
	assignment operator More...

double	operator() (const PeakSpectrum &a, const PeakSpectrum &b) const override
	function call operator, calculates the similarity More...

double	operator() (const PeakSpectrum &a) const override
	calculates self similarity More...

const PeakSpectrum &	lastconsensus () const
	return consensus spectrum from last function call operator More...

std::map< UInt, UInt >	getPeakMap () const

void	setFactor (double f)
	set weighting of the second spectrum for consensus from next function call operator More...

Public Member Functions inherited from PeakSpectrumCompareFunctor
	PeakSpectrumCompareFunctor ()
	default constructor More...

	PeakSpectrumCompareFunctor (const PeakSpectrumCompareFunctor &source)
	copy constructor More...

	~PeakSpectrumCompareFunctor () override
	destructor More...

PeakSpectrumCompareFunctor &	operator= (const PeakSpectrumCompareFunctor &source)
	assignment operator More...

Public Member Functions inherited from DefaultParamHandler
	DefaultParamHandler (const String &name)
	Constructor with name that is displayed in error messages. More...

	DefaultParamHandler (const DefaultParamHandler &rhs)
	Copy constructor. More...

virtual	~DefaultParamHandler ()
	Destructor. More...

DefaultParamHandler &	operator= (const DefaultParamHandler &rhs)
	Assignment operator. More...

virtual bool	operator== (const DefaultParamHandler &rhs) const
	Equality operator. More...

void	setParameters (const Param &param)
	Sets the parameters. More...

const Param &	getParameters () const
	Non-mutable access to the parameters. More...

const Param &	getDefaults () const
	Non-mutable access to the default parameters. More...

const String &	getName () const
	Non-mutable access to the name. More...

void	setName (const String &name)
	Mutable access to the name. More...

const std::vector< String > &	getSubsections () const
	Non-mutable access to the registered subsections. More...

Private Member Functions
double	dynprog_ (const PeakSpectrum &, const PeakSpectrum &, int, int, int, int) const
	O(n^2) dynamical programming. More...

double	comparepeaks_ (double posa, double posb, double inta, double intb) const
	similarity of two peaks More...

Private Attributes
PeakSpectrum	lastconsensus_
	consensus spectrum of the last comparison More...

bool	keeppeaks_
	should peaks with no alignment partner be kept in the consensus? More...

double	factor_
	weighting factor for the next consensus spectrum More...

std::map< UInt, UInt >	peak_map_
	last peak map More...

Static Private Attributes
static const String	info_

Additional Inherited Members
Static Public Member Functions inherited from DefaultParamHandler
static void	writeParametersToMetaValues (const Param &write_this, MetaInfoInterface &write_here, const String &key_prefix="")
	Writes all parameters to meta values. More...

Protected Member Functions inherited from DefaultParamHandler
virtual void	updateMembers_ ()
	This method is used to update extra member variables at the end of the setParameters() method. More...

void	defaultsToParam_ ()
	Updates the parameters after the defaults have been set in the constructor. More...

Protected Attributes inherited from DefaultParamHandler
Param	param_
	Container for current parameters. More...

Param	defaults_
	Container for default parameters. This member should be filled in the constructor of derived classes! More...

std::vector< String >	subsections_
	Container for registered subsections. This member should be filled in the constructor of derived classes! More...

String	error_name_
	Name that is displayed in error messages during the parameter checking. More...

bool	check_defaults_
	If this member is set to false no checking if parameters in done;. More...

bool	warn_empty_defaults_
	If this member is set to false no warning is emitted when defaults are empty;. More...

Detailed Description

SpectrumCheapDPCorr calculates an optimal alignment on stick spectra.

to save computing time only Peak Pairs that could get a score > 0 are considered which Peak Pairs could get scores > 0 ?
Peaks get a score depending on the difference in position and the heights of the peaks
pairs with positions that differ more than some limit get score 0

Parameters of this class are:

Name	Type	Default	Description
variation	float	1.0e-03	Maximum difference in position (in percent of the current m/z). Note that big values of variation ( 1 being the maximum ) result in consideration of all possible pairings which has a running time of O(n*n)
int_cnt	int	0	How the peak heights are used in the score. 0 = product 1 = sqrt(product) 2 = sum 3 = agreeing intensity
keeppeaks	int	0	Flag that states if peaks without alignment partner are kept in the consensus spectrum.

Note:

If a section name is documented, the documentation is displayed as tooltip.
Advanced parameter names are italic.

Constructor & Destructor Documentation

◆ SpectrumCheapDPCorr() [1/2]

SpectrumCheapDPCorr ( )

default constructor

◆ SpectrumCheapDPCorr() [2/2]

SpectrumCheapDPCorr ( const SpectrumCheapDPCorr & source )

copy constructor

◆ ~SpectrumCheapDPCorr()

~SpectrumCheapDPCorr ( )

override

destructor

Member Function Documentation

◆ comparepeaks_()

double comparepeaks_	(	double	posa,
		double	posb,
		double	inta,
		double	intb
	)		const

private

similarity of two peaks

◆ dynprog_()

double dynprog_	(	const PeakSpectrum &	,
		const PeakSpectrum &	,
		int	,
		int	,
		int	,
		int
	)		const

private

O(n^2) dynamical programming.

◆ getPeakMap()

std::map<UInt, UInt> getPeakMap ( ) const

◆ lastconsensus()

const PeakSpectrum& lastconsensus ( ) const

return consensus spectrum from last function call operator

◆ operator()() [1/2]

double operator() ( const PeakSpectrum & a ) const

overridevirtual

calculates self similarity

Implements PeakSpectrumCompareFunctor.

◆ operator()() [2/2]

double operator()	(	const PeakSpectrum &	a,
		const PeakSpectrum &	b
	)		const

overridevirtual

function call operator, calculates the similarity

Implements PeakSpectrumCompareFunctor.

◆ operator=()

SpectrumCheapDPCorr& operator= ( const SpectrumCheapDPCorr & source )

assignment operator

◆ setFactor()

void setFactor ( double f )

set weighting of the second spectrum for consensus from next function call operator

Member Data Documentation

◆ factor_

double factor_

mutableprivate

weighting factor for the next consensus spectrum

◆ info_

const String info_

staticprivate

◆ keeppeaks_

bool keeppeaks_

private

should peaks with no alignment partner be kept in the consensus?

◆ lastconsensus_

PeakSpectrum lastconsensus_

mutableprivate

consensus spectrum of the last comparison

◆ peak_map_

std::map<UInt, UInt> peak_map_

mutableprivate

last peak map

Public Member Functions

Private Member Functions

Private Attributes

Static Private Attributes

Additional Inherited Members

Detailed Description

Constructor & Destructor Documentation

◆ SpectrumCheapDPCorr() [1/2]

◆ SpectrumCheapDPCorr() [2/2]

◆ ~SpectrumCheapDPCorr()

Member Function Documentation

◆ comparepeaks_()

◆ dynprog_()

◆ getPeakMap()

◆ lastconsensus()

◆ operator()() [1/2]

◆ operator()() [2/2]

◆ operator=()

◆ setFactor()

Member Data Documentation

◆ factor_

◆ info_

◆ keeppeaks_

◆ lastconsensus_

◆ peak_map_