/ 
InSilicoSpectro-1.2.2
River stage zero No dependents
/ InSilicoSpectro::Spectra::ExpSpectrum

NAME

InSilicoSpectro::Spectra::ExpSpectrum - A class for representing spectra.

SYNOPSIS

use InSilicoSpectro::Spectra::ExpSpectrum;

DESCRIPTION

This class role is to model mass spectra.

ATTRIBUTES

peakDescriptor

An object of class InSilicoSpectro::Spectra::PeakDescriptor that defines the index of each experimental peak property such as mass, intensity, s/n, etc.

spectrum

The experimental spectrum itself. It is part of the design of this class to impose a data structure for the spectrum and make it visible (no accessors/modifiers).

The data structure is a vector of references to vectors corresponding to the experimental peaks in the experimental spectrum. The attribute spectrum is a reference to the experimental spectrum: a structure like

spectrum->[0] -> (mass, intensity, s/n, ...) for peak 1
spectrum->[1] -> (mass, intensity, s/n, ...) for peak 2
spectrum->[2] -> (mass, intensity, s/n, ...) for peak 3
...

The actual order of the peak properties is given by the PeakDescriptor object pointed by the attribute peakDescriptor.

METHODS

new(%h|$ExpSpectrum)

Constructor. %h is a hash of attribute=>value pairs, $ExpSpectrum is a InSilicoSpectro::Spectra::ExpSpectrum object, from which the attributes are copied.

peakDescriptor([$pd])

Accessor and modifier of the attribute peakDescriptor.

spectrum([$sp])

Accessor and modifier for the experimental spectrum. The spectrum is a reference to a vector of references to vectors containing peak properties (see function InSilicoSpectro::InSilico::PMFMatch).

toString

Converts the spectrum into a string with eol characters between peaks and at the end of the last line. Properties of a peak are separated by a tab character.

Overloaded "" operator

Returns the result of toString.