1 /* Copyright (C) 2006-2007 Egon Willighagen <egonw@users.sf.net> 2 * 3 * Contact: cdk-devel@lists.sourceforge.net 4 * 5 * This program is free software; you can redistribute it and/or 6 * modify it under the terms of the GNU Lesser General Public License 7 * as published by the Free Software Foundation; either version 2.1 8 * of the License, or (at your option) any later version. 9 * All we ask is that proper credit is given for our work, which includes 10 * - but is not limited to - adding the above copyright notice to the beginning 11 * of your source code files, and to any copyright notice that you may distribute 12 * with programs based on this work. 13 * 14 * This program is distributed in the hope that it will be useful, 15 * but WITHOUT ANY WARRANTY; without even the implied warranty of 16 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the 17 * GNU Lesser General Public License for more details. 18 * 19 * You should have received a copy of the GNU Lesser General Public License 20 * along with this program; if not, write to the Free Software 21 * Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA. 22 */ 23 package org.openscience.cdk.tools; 24 25 import org.openscience.cdk.exception.CDKException; 26 import org.openscience.cdk.interfaces.IAtomContainer; 27 28 /** 29 * A common interface for tools that deduce bond orders from connectivity 30 * and optionally additional information, like number of implicit or 31 * explicit hydrogens, or hybridization states. 32 * 33 * @author Egon Willighagen 34 * @cdk.created 2006-08-16 35 * @cdk.module valencycheck 36 * @cdk.githash 37 */ 38 public interface IDeduceBondOrderTool { 39 saturate(IAtomContainer ac)40 public void saturate(IAtomContainer ac) throws CDKException; 41 42 } 43