1 /* Copyright (C) 2002-2006 The Chemistry Development Kit (CDK) project 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 I ask is that proper credit is given for my 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 */ 24 package org.openscience.cdk.isomorphism.matchers.smarts; 25 26 import org.openscience.cdk.interfaces.IAtom; 27 import org.openscience.cdk.interfaces.IChemObjectBuilder; 28 import org.openscience.cdk.tools.periodictable.PeriodicTable; 29 30 /** 31 * This matcher checks the periodic group number of an atom. 32 * 33 * @cdk.module smarts 34 * @cdk.githash 35 * @cdk.keyword SMARTS 36 */ 37 38 @Deprecated 39 public class PeriodicGroupNumberAtom extends SMARTSAtom { 40 41 int groupNumber; 42 43 /** 44 * Creates a new instance 45 * 46 * @param groupNumber the periodic group number 47 */ PeriodicGroupNumberAtom(int groupNumber, IChemObjectBuilder builder)48 public PeriodicGroupNumberAtom(int groupNumber, IChemObjectBuilder builder) { 49 super(builder); 50 this.groupNumber = groupNumber; 51 } 52 53 /* 54 * (non-Javadoc) 55 * @see 56 * org.openscience.cdk.isomorphism.matchers.smarts.SMARTSAtom#matches(org 57 * .openscience.cdk.interfaces.IAtom) 58 */ 59 @Override matches(IAtom atom)60 public boolean matches(IAtom atom) { 61 String symbol = atom.getSymbol(); 62 int group = PeriodicTable.getGroup(symbol); 63 return group == this.groupNumber; 64 } 65 66 /* 67 * (non-Javadoc) 68 * @see org.openscience.cdk.PseudoAtom#toString() 69 */ 70 @Override toString()71 public String toString() { 72 return ("PeriodicGroupNumberAtom(" + this.groupNumber + ")"); 73 } 74 75 } 76