InSilicoSpectro::Spectra::MSMSCmpd

General framework for ms/ms compound (fragmenetaion spectra)

Try to deduce acquisition from the title (and @title2acquTime_regexes) if it was not defined

Return an array of the possible for the precursor

Copyright (C) 2004-2005 Geneva Bioinformatics www.genebio.com

This library is free software; you can redistribute it and/or modify it under the terms of the GNU Lesser General Public License as published by the Free Software Foundation; either version 2.1 of the License, or (at your option) any later version.

This library is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU Lesser General Public License for more details.

You should have received a copy of the GNU Lesser General Public License along with this library; if not, write to the Free Software Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA

Alexandre Masselot, www.genebio.com

All the data is stroed in arrays, the peakdescriptors (for parent and fragment) are responsible for stating what is the info stroed in each fields;

All the data (peak data) associated with the parent ion Ex =head3 setParentData(\@vals | ($index, $val))

if $i is defined, returns argument index $i. If not, it returns the array with all the values;

add a list of peaks

gets or sets a label to this compound and saves it in the hash 'label' with an optional corresponding value