/* Copyright Ideaconsult Ltd.(C) 2006 - 2008 Contact: nina@acad.bg This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 2 of the License, or (at your option) any later version. 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 General Public License for more details. You should have received a copy of the GNU General Public License along with this program; if not, write to the Free Software Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301, USA. */ package eye.rules; import java.util.logging.Level; import toxTree.tree.rules.smarts.RuleSMARTSubstructureCDK; import ambit2.smarts.query.SMARTSException; /** * * Chlorinated aliphatic alcohols * @author Nina Jeliazkova nina@acad.bg */ public class Rule18 extends RuleSMARTSubstructureCDK { /** * */ private static final long serialVersionUID = -1030146366743047422L; private static final String MSG18 = "Chlorinated aliphatic alcohols"; public Rule18() { //TODO fix sterically hindered condition (example NO fails) super(); try { addSubstructure("CC(Cl)([#1,C])C([#1,C])([#1,C])[CH2][OH]"); setID("18"); setTitle(MSG18); editable = false; examples[0] = "C(C(C(CC)C)(Cl)C=C)CC"; examples[1] = "C(C(C(CO)C)(Cl)C=C)CC"; } catch (SMARTSException x) { logger.log(Level.SEVERE,x.getMessage(),x); } } }