/* $RCSfile$
* $Author$
* $Date$
* $Revision$
*
* 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.IAtomContainer;
import org.openscience.cdk.interfaces.IBond;
/**
* @cdk.module isomorphism
* @cdk.githash
*/
public class QueryAtomContainer extends org.openscience.cdk.AtomContainer implements IQueryAtomContainer {
private static final long serialVersionUID = -1876912362585898476L;
public QueryAtomContainer() {
};
public void add(IAtomContainer container) {
if (container instanceof QueryAtomContainer) {
super.add(container);
} else {
throw new IllegalArgumentException("AtomContainer is not of type QueryAtomContainer");
}
}
public void addAtom(IAtom atom) {
if (atom instanceof IQueryAtom) {
super.addAtom(atom);
} else {
throw new IllegalArgumentException("Atom is not of type QueryAtom");
}
}
public void addBond(IBond bond) {
if (bond instanceof IQueryBond) {
super.addBond(bond);
} else {
throw new IllegalArgumentException("Bond is not of type QueryBond");
}
}
public String toString() {
StringBuffer s = new StringBuffer();
s.append("QueryAtomContainer(");
s.append(this.hashCode() + ", ");
s.append("#A:" + getAtomCount() + ", ");
s.append("#EC:" + getElectronContainerCount() + ", ");
for (int i = 0; i < getAtomCount(); i++) {
s.append(getAtom(i).toString() + ", ");
}
for (int i = 0; i < getBondCount(); i++) {
s.append(getBond(i).toString() + ", ");
}
for (int i = 0; i < getLonePairCount(); i++) {
s.append(getLonePair(i).toString() + ", ");
}
for (int i = 0; i < getSingleElectronCount(); i++) {
s.append(getSingleElectron(i).toString() + ", ");
}
s.append(")");
return s.toString();
}
}