cPeak Struct Reference

A structure representing a peak in a mass spectrum. More...

#include <cPeak.h>

Public Member Functions
	cPeak ()
	The constructor.
	cPeak (const cPeak &peak)
	The copy constructor. More...
cPeak &	operator= (const cPeak &peak)
	Overloaded operator=. More...
void	clear ()
	Clear the structure.
bool	empty ()
	Test whether the structure is empty. More...
void	store (ofstream &os)
	Store the structure into an output stream. More...
void	load (ifstream &is)
	Load the structure from an input stream. More...
bool	equals (cPeak &secondpeak)
	Check if the object equals to another object. More...

Public Attributes
cSummaryFormula	formula
	Summary formlula.
string	isotopeformula
	Isotope summary formula.
int	isotopeformulaid
	Id of isotope summary formula.
double	mzratio
	MZ ratio.
double	relativeintensity
	Relative ntensity.
double	absoluteintensity
	Absolute intensity.
string	description
	Description of a peak.
int	descriptionid
	Description id of a peak.
double	matchedmz
	m/z ratio when the peak was matched with an experimental peak.
double	matchedrelativeintensity
	Relative intensity when the peak was matched with an experimental peak.
double	matchedabsoluteintensity
	Absolute intensity when the peak was matched with an experimental peak.
double	matchedppm
	An error in ppm when the peak was matched with an experimental peak.
eFragmentIonType	iontype
	Ion type corresponding to the peak.
int	neutrallosstype
	Neutral loss type corresponding to the peak.
int	matched
	Number of matches of an experimental peak (when the peak is compared to a theoretical spectrum).
int	matchedid
	An order of an experimental peak which has been matched with a theoretical peak.
int	charge
	A charge of the peak.
int	rotationid
	Id of a rotation of a cyclic peptide or a permutation of a branched peptide which has been matched.
int	seriesid
	An order of a peak in a series (e.g., B_5 in a B series).
int	groupid
	Identifier of a group of peaks.
int	compoundid
	Identifier of a compound.
bool	isotope
	True if the peak is an isotope peak.
bool	removeme
	True if the peak should be removed.
bool	scrambled
	True if the peak corresponds to a scrambled fragment ion.
bool	decoy
	True if the peak corresponds to a decoy compound.
int	orderid
	An order id of a peak in a peaklist.

Detailed Description

A structure representing a peak in a mass spectrum.

Constructor & Destructor Documentation

cPeak()

cPeak::cPeak

(

const cPeak &

peak

)

The copy constructor.

Parameters

peak	reference to cPeak

Member Function Documentation

empty()

bool cPeak::empty

(

)

Test whether the structure is empty.

Return values

bool	true when the structure is empty

equals()

bool cPeak::equals

(

cPeak &

secondpeak

)

Check if the object equals to another object.

Parameters

secondpeak

object for comparison

Return values

bool	true if the objects are equals

load()

void cPeak::load

(

ifstream &

is

)

Load the structure from an input stream.

Parameters

is	an input stream

operator=()

cPeak & cPeak::operator=

(

const cPeak &

peak

)

Overloaded operator=.

Parameters

peak	reference to cPeak

store()

void cPeak::store

(

ofstream &

os

)

Store the structure into an output stream.

Parameters

os	an output stream

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The documentation for this struct was generated from the following files:

• core/cPeak.h
• core/cPeak.cpp