?? implicithcountatom.java
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/* $RCSfile$ * $Author: sushil_ronghe $ * $Date: 2007-04-17 20:49:16 +0200 (Tue, 17 Apr 2007) $ * $Revision: 8208 $ * * 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.interfaces.IAtom;/** * This matcher checks the number of implicit hydrogens of the Atom. * * @cdk.module extra */public class ImplicitHCountAtom extends SMARTSAtom { private static final long serialVersionUID = 6752937431492584928L; private int hCount; public ImplicitHCountAtom(int hCount) { this.hCount = hCount; } public ImplicitHCountAtom(){ this.hCount = Default; } public int getOperator(){ if(ID!=null && this.hCount==Default) return 1; else if(ID!=null && this.hCount!=Default) return 2; else if(this.hCount==Default) return 3; else if(this.hCount!=Default) return 4; return 5; } private int getIMPH(IAtom atom){ return atom.getHydrogenCount(); } public boolean matches(IAtom atom) { switch(getOperator()){ case 1:return defaultOperatorCheck(atom); case 2:return nonDefaultOperatorCheck(atom); case 3:return defaultCheck(atom); case 4:return nonDefaultCheck(atom); default:return false; } }; private boolean defaultCheck(IAtom atom){ if(getIMPH(atom)!=0)return true; return false; } private boolean nonDefaultCheck(IAtom atom){ if(getIMPH(atom)!=0 && getIMPH(atom)==this.hCount) return true; return false; } private boolean defaultOperatorCheck(IAtom atom){ if(getIMPH(atom)==0)return true; return false; } private boolean nonDefaultOperatorCheck(IAtom atom){ if(getIMPH(atom)!=0 && getIMPH(atom)!=this.hCount) return false; return false; } public String toString() { StringBuffer s = new StringBuffer(); s.append("ImplicitHCountAtom("); s.append(this.hashCode() + ", "); s.append("IH:" + hCount); s.append(")"); return s.toString(); }}
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