/* Copyright Ideaconsult Ltd. (C) 2005-2012 Contact: jeliazkova.nina@gmail.com This program 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. All we ask is that proper credit is given for our work, which includes - but is not limited to - adding the above copyright notice to the beginning of your source code files, and to any copyright notice that you may distribute with programs based on this work. This program 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 program; if not, write to the Free Software Foundation, Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA */ package toxtree.plugins.ames.rules; import toxTree.tree.rules.DefaultAlertCounter; import toxTree.tree.rules.IAlertCounter; import toxTree.tree.rules.StructureAlertAmbit; /** * Aromatic ring N-oxide. TODO - aromatic ring is not recognized for unknown reason. * @author Nina Jeliazkova * */ public class SA26_gen extends StructureAlertAmbit { /** * */ private static final long serialVersionUID = 1180914654531194376L; public static String SA26_title = "Aromatic ring N-oxide"; protected IAlertCounter alertsCounter = new DefaultAlertCounter(); public SA26_gen() { super(); setID("SA26_Ames"); setTitle(SA26_title); setExplanation(SA26_title); examples[0] = "CCCCCCCC[N+](C)(C)[O-]"; examples[1] = "O=[N+]([O-])C=1C=C[N+]([O-])=CC=1"; //"O=[N+]([O-])C5=CC=C2C=CC3=C1C=CC=CC1=[N+]([O-])C=4C=CC5(=C2C3=4)"; editable = false; //addSubstructure(FunctionalGroups.noxide_aromatic()); try { addSubstructure("[n+]!@[O-]"); } catch (Exception x) { } } /* public void incrementCounter(IAtomContainer mol) { alertsCounter.incrementCounter(mol); } public String getImplementationDetails() { StringBuffer b = new StringBuffer(); b.append(alertsCounter.getImplementationDetails()); b.append(getClass().getName()); b.append(".java"); return b.toString(); } */ }