cPeaksList.h File Reference

The representation of a peak list. More...

#include <iostream>
#include <fstream>
#include <vector>
#include <string>
#include <algorithm>
#include "core/cPeak.h"
#include "core/cMzML.h"
#include "core/cImzML.h"

Go to the source code of this file.

Classes
class	cPeaksList
	The class representing a peak list. More...

Functions
bool	compareRelativePeakIntensitiesDesc (const cPeak &a, const cPeak &b)
	Compare two peaks by relative intensities. More...
bool	isInPpmMassErrorTolerance (double experimentalmass, double theoreticalmass, double tolerance)
	Check whether two masses are inside a ppm mass error tolerance. More...
double	ppmError (double experimentalmass, double theoreticalmass)
	Compute a ppm error between two masses. More...
bool	searchHint (double mzratio, cPeaksList &experimentalpeaks, double fragmentmasserrortolerance)
	Check if an m/z ratio exists in an experimental spectrum. More...
	Q_DECLARE_METATYPE (cPeaksList)
	Register cPeaksList by Qt.

Detailed Description

The representation of a peak list.

Function Documentation

compareRelativePeakIntensitiesDesc()

bool compareRelativePeakIntensitiesDesc	(	const cPeak &	a,
		const cPeak &	b
	)

Compare two peaks by relative intensities.

Parameters

a	first peak
b	second peak

Return values

bool	true when the relative intensity of the peak a is bigger than the relative intensity of the peak b

isInPpmMassErrorTolerance()

bool isInPpmMassErrorTolerance	(	double	experimentalmass,
		double	theoreticalmass,
		double	tolerance
	)

Check whether two masses are inside a ppm mass error tolerance.

Parameters

experimentalmass	first mass
theoreticalmass	second mass
tolerance	fragment mass error tolerance

Return values

bool	true when masses are inside a mass tolerance

ppmError()

double ppmError	(	double	experimentalmass,
		double	theoreticalmass
	)

Compute a ppm error between two masses.

Parameters

experimentalmass	first mass
theoreticalmass	second mass

Return values

double

ppm error

searchHint()

bool searchHint	(	double	mzratio,
		cPeaksList &	experimentalpeaks,
		double	fragmentmasserrortolerance
	)

Check if an m/z ratio exists in an experimental spectrum.

Parameters

mzratio	theoretical m/z ratio
experimentalpeaks	an input experimental spectrum (sorted in ascending order)
fragmentmasserrortolerance	m/z error tolerance

Return values

true	if the theoretical m/z ratio was mathed; false otherwise