/* $RCSfile$
* $Author$
* $Date$
* $Revision$
*
* 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;
import org.openscience.cdk.interfaces.IAtom;
import org.openscience.cdk.interfaces.IBond;
import org.openscience.cdk.CDKConstants;
/**
* @cdk.module isomorphism
* @cdk.githash
*/
public class OrderQueryBond extends org.openscience.cdk.Bond implements IQueryBond {
private static final long serialVersionUID = 2292654937621883661L;
public OrderQueryBond() {
}
public OrderQueryBond(IQueryAtom atom1, IQueryAtom atom2, IBond.Order order) {
super(atom1, atom2, order);
}
public boolean matches(IBond bond) {
if (this.getOrder() == bond.getOrder()) {
// bond orders match
return true;
} else if (this.getFlag(CDKConstants.ISAROMATIC) &&
bond.getFlag(CDKConstants.ISAROMATIC)) {
// or both are aromatic
} // else
return false;
};
public void setAtoms(IAtom[] atoms) {
if (atoms.length > 0 && atoms[0] instanceof IQueryAtom) {
super.setAtoms(atoms);
} else {
throw new IllegalArgumentException("Array is not of type QueryAtom[]");
}
}
public void setAtomAt(IAtom atom, int position) {
if (atom instanceof IQueryAtom) {
super.setAtom(atom, position);
} else {
throw new IllegalArgumentException("Atom is not of type QueryAtom");
}
}
}