/* $RCSfile$ * $Author$ * $Date$ * $Revision$ * * Copyright (C) 2004-2007 The Chemistry Development Kit (CDK) project * * Contact: cdk-devel@lists.sourceforge.net * * 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. * * 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., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA. */ package org.openscience.cdk.isomorphism.matchers.smarts; import org.openscience.cdk.CDKConstants; import org.openscience.cdk.interfaces.IBond; /** * This matches a bond with a certain bond order. * * Daylight spec indicates that if match a single bond * using '-', it should be an aliphatic single bond * * @cdk.module smarts * @cdk.githash * @cdk.keyword SMARTS */ public class OrderQueryBond extends SMARTSBond { private static final long serialVersionUID = -5139538872961160661L; /** * Creates a new instance * * @param order the order of bond */ public OrderQueryBond(IBond.Order order) { super(); this.setOrder(order); } /* (non-Javadoc) * @see org.openscience.cdk.isomorphism.matchers.smarts.SMARTSBond#matches(org.openscience.cdk.interfaces.IBond) */ public boolean matches(IBond bond) { if (getOrder() == IBond.Order.SINGLE) { return !bond.getFlag(CDKConstants.ISAROMATIC) && getOrder() == bond.getOrder(); } else return getOrder() == bond.getOrder(); } /* (non-Javadoc) * @see org.openscience.cdk.Bond#toString() */ public String toString() { StringBuffer s = new StringBuffer(); s.append("OrderQueryBond("); s.append(this.hashCode() + ", "); s.append("#O:" + getOrder()); s.append(")"); return s.toString(); } }