/* $RCSfile: $ * $Author: egonw $ * $Date: 2006-05-09 21:32:32 +0200 (Tue, 09 May 2006) $   * $Revision: 6204 $ * * Copyright (C) 2006-2007  Egon Willighagen <egonw@users.sf.net> * * 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.tools;import org.openscience.cdk.geometry.CrystalGeometryTools;import org.openscience.cdk.geometry.GeometryTools;import org.openscience.cdk.geometry.GeometryToolsInternalCoordinates;import org.openscience.cdk.interfaces.IMolecule;import org.openscience.cdk.tools.features.MoleculeFeaturesTool;/** * Utility that helps determine which data features are present. *  * @author egonw *  * @see    org.openscience.cdk.tools.DataFeatures */public class DataFeaturesTool {	/**	 * Determines the features present in the given IMolecule.	 *  	 * @param molecule IMolecule to determine the features off	 * 	 * @return integer representation of the present features 	 */	public static int getSupportedDataFeatures(IMolecule molecule) {		int features = DataFeatures.NONE;		if (MoleculeFeaturesTool.hasElementSymbols(molecule))			features = features | DataFeatures.HAS_ATOM_ELEMENT_SYMBOL;		if (GeometryTools.has2DCoordinates(molecule))			features = features | DataFeatures.HAS_2D_COORDINATES;		if (GeometryToolsInternalCoordinates.has3DCoordinates(molecule))			features = features | DataFeatures.HAS_3D_COORDINATES;		if (CrystalGeometryTools.hasCrystalCoordinates(molecule))			features = features | DataFeatures.HAS_FRACTIONAL_CRYSTAL_COORDINATES;		if (MoleculeFeaturesTool.hasFormalCharges(molecule))			features = features | DataFeatures.HAS_ATOM_FORMAL_CHARGES;		if (MoleculeFeaturesTool.hasPartialCharges(molecule))			features = features | DataFeatures.HAS_ATOM_PARTIAL_CHARGES;		if (MoleculeFeaturesTool.hasGraphRepresentation(molecule))			features = features | DataFeatures.HAS_GRAPH_REPRESENTATION;		return features;	}		}