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A shared IChemObject implementation for QueryAtom and QueryBond
Signed-off-by: Rajarshi Guha <rajarshi.guha@gmail.com>
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‎src/main/org/openscience/cdk/isomorphism/matchers/QueryChemObject.java‎

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/* Copyright (C) 1997-2007 Christoph Steinbeck <steinbeck@users.sf.net>
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* 2010 Egon Willighagen <egonw@users.sf.net>
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*
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* Contact: cdk-devel@lists.sourceforge.net
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*
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* This program is free software; you can redistribute it and/or
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* modify it under the terms of the GNU Lesser General Public License
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* as published by the Free Software Foundation; either version 2.1
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* of the License, or (at your option) any later version.
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*
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* This program is distributed in the hope that it will be useful,
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* but WITHOUT ANY WARRANTY; without even the implied warranty of
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* MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
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* GNU Lesser General Public License for more details.
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*
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* You should have received a copy of the GNU Lesser General Public License
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* along with this program; if not, write to the Free Software
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* Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA.
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*/
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package org.openscience.cdk.isomorphism.matchers;
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import java.util.ArrayList;
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import java.util.HashMap;
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import java.util.Iterator;
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import java.util.List;
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import java.util.Map;
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import org.openscience.cdk.CDKConstants;
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import org.openscience.cdk.event.ChemObjectChangeEvent;
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import org.openscience.cdk.interfaces.IAtom;
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import org.openscience.cdk.interfaces.IChemObjectBuilder;
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import org.openscience.cdk.interfaces.IChemObjectChangeEvent;
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import org.openscience.cdk.interfaces.IChemObjectListener;
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/**
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* @cdk.module isomorphism
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* @cdk.githash
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*/
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public class QueryChemObject {
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/**
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* List for listener administration.
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*/
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private List<IChemObjectListener> chemObjectListeners;
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/**
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* A hashtable for the storage of any kind of properties of this IChemObject.
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*/
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private Map<Object, Object> properties;
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/**
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* String representing the identifier for this atom type with null as default.
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*/
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private String identifier = (String) CDKConstants.UNSET;
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/**
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* You will frequently have to use some flags on a IChemObject. For example, if
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* you want to draw a molecule and see if you've already drawn an atom, or in
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* a ring search to check whether a vertex has been visited in a graph
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* traversal. Use these flags while addressing particular positions in the
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* flag array with self-defined constants (flags[VISITED] = true). 100 flags
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* per object should be more than enough.
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*/
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private boolean[] flags;
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public QueryChemObject() {
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super();
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}
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/**
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* Lazy creation of chemObjectListeners List.
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*
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*@return List with the ChemObjects associated.
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*/
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private List<IChemObjectListener> lazyChemObjectListeners()
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{
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if (chemObjectListeners == null) {
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chemObjectListeners = new ArrayList<IChemObjectListener>();
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}
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return chemObjectListeners;
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}
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/**
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* Use this to add yourself to this IChemObject as a listener. In order to do
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* so, you must implement the ChemObjectListener Interface.
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*
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*@param col the ChemObjectListener
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*@see #removeListener
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*/
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public void addListener(IChemObjectListener col)
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{
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List<IChemObjectListener> listeners = lazyChemObjectListeners();
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if (!listeners.contains(col))
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{
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listeners.add(col);
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}
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// Should we throw an exception if col is already in here or
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// just silently ignore it?
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}
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/**
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* Returns the number of ChemObjectListeners registered with this object.
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*
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*@return the number of registered listeners.
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*/
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public int getListenerCount() {
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if (chemObjectListeners == null) {
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return 0;
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}
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return lazyChemObjectListeners().size();
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}
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/**
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* Use this to remove a ChemObjectListener from the ListenerList of this
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* IChemObject. It will then not be notified of change in this object anymore.
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*
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*@param col The ChemObjectListener to be removed
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*@see #addListener
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*/
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public void removeListener(IChemObjectListener col) {
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if (chemObjectListeners == null) {
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return;
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}
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List<IChemObjectListener> listeners = lazyChemObjectListeners();
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if (listeners.contains(col)) {
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listeners.remove(col);
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}
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}
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/**
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* This should be triggered by an method that changes the content of an object
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* to that the registered listeners can react to it.
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*/
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public void notifyChanged() {
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if (getNotification() && getListenerCount() > 0) {
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List<IChemObjectListener> listeners = lazyChemObjectListeners();
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for (Object listener : listeners) {
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((IChemObjectListener) listener).stateChanged(
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new ChemObjectChangeEvent(this)
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);
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}
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}
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}
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/**
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* This should be triggered by an method that changes the content of an object
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* to that the registered listeners can react to it. This is a version of
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* notifyChanged() which allows to propagate a change event while preserving
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* the original origin.
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*
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*@param evt A ChemObjectChangeEvent pointing to the source of where
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* the change happend
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*/
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public void notifyChanged(IChemObjectChangeEvent evt) {
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if (getNotification() && getListenerCount() > 0) {
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List<IChemObjectListener> listeners = lazyChemObjectListeners();
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for (Object listener : listeners) {
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((IChemObjectListener) listener).stateChanged(evt);
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}
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}
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}
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/**
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* Lazy creation of properties hash.
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*
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* @return Returns in instance of the properties
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*/
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private Map<Object, Object> lazyProperties()
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{
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if (properties == null)
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{
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properties = new HashMap<Object, Object>();
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}
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return properties;
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}
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/**
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* Sets a property for a IChemObject.
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*
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*@param description An object description of the property (most likely a
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* unique string)
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*@param property An object with the property itself
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*@see #getProperty
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*@see #removeProperty
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*/
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public void setProperty(Object description, Object property)
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{
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lazyProperties().put(description, property);
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notifyChanged();
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}
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/**
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* Removes a property for a IChemObject.
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*
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*@param description The object description of the property (most likely a
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* unique string)
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*@see #setProperty
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*@see #getProperty
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*/
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public void removeProperty(Object description)
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{
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if (properties == null) {
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return;
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}
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if (lazyProperties().remove(description) != null)
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notifyChanged();
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}
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/**
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* Returns a property for the IChemObject.
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*
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*@param description An object description of the property (most likely a
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* unique string)
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*@return The object containing the property. Returns null if
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* propert is not set.
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*@see #setProperty
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*@see #removeProperty
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*/
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public Object getProperty(Object description)
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{
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if (properties != null) {
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return lazyProperties().get(description);
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}
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return null;
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}
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/**
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* Returns a Map with the IChemObject's properties.
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*
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*@return The object's properties as an Hashtable
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*@see #setProperties
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*/
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public Map<Object,Object> getProperties()
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{
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return lazyProperties();
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}
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/**
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* Returns the identifier (ID) of this object.
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*
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*@return a String representing the ID value
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*@see #setID
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*/
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public String getID()
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{
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return this.identifier;
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}
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/**
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* Sets the identifier (ID) of this object.
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*
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*@param identifier a String representing the ID value
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*@see #getID
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*/
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public void setID(String identifier)
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{
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this.identifier = identifier;
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notifyChanged();
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}
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/**
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* Sets the value of some flag.
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*
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*@param flag_type Flag to set
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*@param flag_value Value to assign to flag
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*@see #getFlag
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*/
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public void setFlag(int flag_type, boolean flag_value)
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{
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flags[flag_type] = flag_value;
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notifyChanged();
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}
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/**
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* Returns the value of some flag.
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*
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*@param flag_type Flag to retrieve the value of
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*@return true if the flag <code>flag_type</code> is set
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*@see #setFlag
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*/
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public boolean getFlag(int flag_type)
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{
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return flags[flag_type];
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}
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/**
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* Sets the properties of this object.
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*
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*@param properties a Hashtable specifying the property values
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*@see #getProperties
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*/
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public void setProperties(Map<Object,Object> properties)
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{
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Iterator<Object> keys = properties.keySet().iterator();
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while (keys.hasNext())
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{
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Object key = keys.next();
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lazyProperties().put(key, properties.get(key));
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}
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notifyChanged();
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}
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private boolean doNotification = true;
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/**
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* Sets the whole set of flags.
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*
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* @param flagsNew the new flags.
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* @see #getFlags
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*/
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public void setFlags(boolean[] flagsNew){
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flags=flagsNew;
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}
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/**
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* Returns the whole set of flags.
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*
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*@return the flags.
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*@see #setFlags
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*/
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public boolean[] getFlags(){
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return(flags);
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}
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public void setNotification(boolean bool) {
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this.doNotification = bool;
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}
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public boolean getNotification() {
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return this.doNotification;
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}
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public IChemObjectBuilder getBuilder() {
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throw new IllegalAccessError();
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}
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public boolean matches(IAtom atom) {
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// TODO Auto-generated method stub
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return false;
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}
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@Override
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public Object clone() throws CloneNotSupportedException {
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// TODO Auto-generated method stub
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return super.clone();
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}
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}

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