/* $RCSfile$
* $Author$
* $Date$
* $Revision$
*
* Copyright (C) 2003-2007 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.
* All we ask is that proper credit is given for our work, which includes
* - but is not limited to - adding the above copyright notice to the beginning
* of your source code files, and to any copyright notice that you may distribute
* with programs based on this work.
*
* 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.dict;
import org.openscience.cdk.interfaces.IAtom;
import org.openscience.cdk.interfaces.IBond;
import org.openscience.cdk.interfaces.IChemModel;
import org.openscience.cdk.interfaces.IChemObject;
import org.openscience.cdk.interfaces.IElement;
import org.openscience.cdk.interfaces.IIsotope;
import org.openscience.cdk.interfaces.IMolecule;
import org.openscience.cdk.interfaces.IReaction;
/**
* This class transforms implicit references to dictionary of CDK
* objects into explicit references.
*
* <p>The syntax of the property names used is as follows:
* org.openscience.cdk.dict:self or
* org.openscience.cdk.dict:field:'fieldname', where fieldname
* indicates a field for this object. The name may be appended
* by :'number' to allow for more than one reference.
*
* @author Egon Willighagen <egonw@sci.kun.nl>
* @cdk.githash
* @cdk.created 2003-08-06
* @cdk.keyword dictionary, implicit CDK references
* @cdk.module dict
*/
public class CDKDictionaryReferences {
private static String prefix = DictionaryDatabase.DICTREFPROPERTYNAME;
public static void makeReferencesExplicit(IChemObject object) {
if (object instanceof IAtom) {
makeReferencesExplicitForAtom((IAtom)object);
} else if (object instanceof IBond) {
makeReferencesExplicitForBond((IBond)object);
} else if (object instanceof IChemModel) {
makeReferencesExplicitForChemModel((IChemModel)object);
} else if (object instanceof IIsotope) {
makeReferencesExplicitForIsotope((IIsotope)object);
} else if (object instanceof IElement) {
makeReferencesExplicitForElement((IElement)object);
} else if (object instanceof IMolecule) {
makeReferencesExplicitForMolecule((IMolecule)object);
} else if (object instanceof IReaction) {
makeReferencesExplicitForReaction((IReaction)object);
}
}
private static void makeReferencesExplicitForAtom(IAtom atom) {
int selfCounter = 0;
atom.setProperty(prefix + ":self:" + selfCounter++, "chemical:atom");
makeReferencesExplicitForElement(atom);
}
private static void makeReferencesExplicitForBond(IBond bond) {
int selfCounter = 0;
bond.setProperty(prefix + ":self:" + selfCounter++, "chemical:covalentBond");
bond.setProperty(prefix + ":field:order", "chemical:bondOrder");
}
private static void makeReferencesExplicitForChemModel(IChemModel model) { // NOPMD
// nothing to do
}
private static void makeReferencesExplicitForElement(IElement element) {
int selfCounter = 0;
element.setProperty(prefix + ":field:symbol", "chemical:atomSymbol");
element.setProperty(prefix + ":field:atomicNumber", "chemical:atomicNumber");
if (element.getSymbol().equals("C")) {
element.setProperty(prefix + ":self:" + selfCounter++, "element:carbon");
} else if (element.getSymbol().equals("N")) {
element.setProperty(prefix + ":self:" + selfCounter++, "element:nitrogen");
} else if (element.getSymbol().equals("O")) {
element.setProperty(prefix + ":self:" + selfCounter++, "element:oxygen");
} else if (element.getSymbol().equals("H")) {
element.setProperty(prefix + ":self:" + selfCounter++, "element:hydrogen");
} else if (element.getSymbol().equals("S")) {
element.setProperty(prefix + ":self:" + selfCounter++, "element:sulphur");
} else if (element.getSymbol().equals("P")) {
element.setProperty(prefix + ":self:" + selfCounter++, "element:phosphorus");
}
}
private static void makeReferencesExplicitForIsotope(IIsotope isotope) {
int selfCounter = 0;
isotope.setProperty(prefix + ":self:" + selfCounter++, "chemical:isotope");
}
private static void makeReferencesExplicitForMolecule(IMolecule molecule) {
int selfCounter = 0;
molecule.setProperty(prefix + ":self:" + selfCounter++, "chemical:molecularEntity");
/* remark: this is not strictly true... the Compendium includes the
ion pair, which normally would not considered a CDK molecule */
}
private static void makeReferencesExplicitForReaction(IReaction reaction) {
int selfCounter = 0;
reaction.setProperty(prefix + ":self:" + selfCounter++, "reaction:reactionStep");
}
}