/* $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;/** * Class with constants for possible data features defined in the * a Data Feature Ontology. Actual integers are random * and should <b>not</b> be used directly. *  * <p>To test wether a IChemFormat supports a certain feature, the * following code can be used: * <pre> * int features = new XYZFormat().getSupportedDataFeatures(); * boolean has3DCoords = (features & HAS_3D_COORDINATES) == HAS_3D_COORDINATES; * </pre> *  * <p>This list of constants matches the latest <a href="http://qsar.sourceforge.net/ontologies/data-features/index.xhtml" * >Blue Obelisk Data Features Ontology</a>. *  * @author     Egon Willighagen <ewilligh@uni-koeln.de> * @cdk.module core **/public class DataFeatures {    public final static int NONE = 0;        // The int allows for up to 750 different properties. Should    // be enough for now.        // COORDINATE SYSTEMS    /** @cdk.dictref bodf:coordinates2D */    public final static int HAS_2D_COORDINATES = 1<<0;    /** @cdk.dictref bodf:coordinates3D */    public final static int HAS_3D_COORDINATES = 1<<1;    /** @cdk.dictref bodf:fractionalUnitCellCoordinatesCoordinates */    public final static int HAS_FRACTIONAL_CRYSTAL_COORDINATES = 1<<2;        // ATOMIC FEATURES    //                      HAS_ATOMS ??    /** @cdk.dictref bodf:hasAtomElementSymbol */    public final static int HAS_ATOM_ELEMENT_SYMBOL = 1<<3;    /** @cdk.dictref bodf:partialAtomicCharges */    public final static int HAS_ATOM_PARTIAL_CHARGES = 1<<4;    /** @cdk.dictref bodf:formalAtomicCharges */    public final static int HAS_ATOM_FORMAL_CHARGES = 1<<5;    /** FIXME: NOT YET IN BODF !!! **/    public final static int HAS_ATOM_HYBRIDIZATIONS = 1<<6;    /** @cdk.dictref bodf:massNumbers */    public final static int HAS_ATOM_MASS_NUMBERS = 1<<7;    /** @cdk.dictref bodf:isotopeNumbers */    public final static int HAS_ATOM_ISOTOPE_NUMBERS = 1<<8;        // GRAPH FEATURES        /** @cdk.dictref bodf:graphRepresentation */    public final static int HAS_GRAPH_REPRESENTATION = 1<<9;    /** @cdk.dictref bodf:dietzRepresentation */    public final static int HAS_DIETZ_REPRESENTATION = 1<<10;        // MODEL FEATURES        /** FIXME: NOT YET IN BODF !!! **/    public final static int HAS_UNITCELL_PARAMETERS = 1<<11;    /** FIXME: NOT YET IN BODF !!! **/        public final static int HAS_REACTIONS = 1<<12;	}