/* $RCSfile$
* $Author$
* $Date$
* $Revision$
*
* Copyright (C) 2004-2007 The Chemistry Development Kit (CDK) project
*
* Contact: cdk-devel@lists.sourceforge.net
*
* This library 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 library 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 library; if not, write to the Free Software
* Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA.
*/
package org.openscience.cdk.io.formats;
import org.openscience.cdk.annotations.TestClass;
import org.openscience.cdk.annotations.TestMethod;
import org.openscience.cdk.tools.DataFeatures;
/**
* See <a href="http://shelx.uni-ac.gwdg.de/SHELX/">here</a>.
*
* @cdk.module ioformats
* @cdk.githash
* @cdk.set io-formats
*/
@TestClass("org.openscience.cdk.io.formats.ShelXFormatTest")
public class ShelXFormat implements IChemFormatMatcher {
private static IResourceFormat myself = null;
private ShelXFormat() {}
@TestMethod("testResourceFormatSet")
public static IResourceFormat getInstance() {
if (myself == null) myself = new ShelXFormat();
return myself;
}
@TestMethod("testGetFormatName")
public String getFormatName() {
return "ShelXL";
}
@TestMethod("testGetMIMEType")
public String getMIMEType() {
return null;
}
@TestMethod("testGetPreferredNameExtension")
public String getPreferredNameExtension() {
return getNameExtensions()[0];
}
@TestMethod("testGetNameExtensions")
public String[] getNameExtensions() {
return new String[]{"ins","res"};
}
@TestMethod("testGetReaderClassName")
public String getReaderClassName() {
return "org.openscience.cdk.io.ShelXReader";
}
@TestMethod("testGetWriterClassName")
public String getWriterClassName() {
return "org.openscience.cdk.io.ShelXWriter";
}
public boolean matches(int lineNumber, String line) {
if (line.startsWith("ZERR ") ||
line.startsWith("TITL ")) {
return true;
}
return false;
}
@TestMethod("testIsXMLBased")
public boolean isXMLBased() {
return false;
}
@TestMethod("testGetSupportedDataFeatures")
public int getSupportedDataFeatures() {
return getRequiredDataFeatures();
}
@TestMethod("testGetRequiredDataFeatures")
public int getRequiredDataFeatures() {
return DataFeatures.HAS_3D_COORDINATES |
DataFeatures.HAS_UNITCELL_PARAMETERS |
DataFeatures.HAS_ATOM_ELEMENT_SYMBOL;
}
}