org.openscience.cdk.io.cml.MDLMolConvention Maven / Gradle / Ivy
/* Copyright (C) 1997-2007 Egon Willighagen
*
* Contact: [email protected]
*
* 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.io.cml;
import org.openscience.cdk.interfaces.IChemFile;
import org.openscience.cdk.interfaces.IChemModel;
import org.xml.sax.Attributes;
/**
* Implementation of the MDLMol Covention for CML.
*
* @cdk.module io
* @cdk.githash
*
* @author Egon Willighagen
*/
public class MDLMolConvention extends CMLCoreModule {
public MDLMolConvention(IChemFile chemFile) {
super(chemFile);
}
public MDLMolConvention(ICMLModule conv) {
super(conv);
}
@Override
public void startDocument() {
super.startDocument();
// cdo.startObject("Frame");
currentChemModel = currentChemFile.getBuilder().newInstance(IChemModel.class);
}
@Override
public void startElement(CMLStack xpath, String uri, String local, String raw, Attributes atts) {
logger.debug("MDLMol element: name");
super.startElement(xpath, uri, local, raw, atts);
}
@Override
public void characterData(CMLStack xpath, char ch[], int start, int length) {
String s = new String(ch, start, length).trim();
if (xpath.toString().endsWith("string/") && BUILTIN.equals("stereo")) {
stereoGiven = true;
if (s.trim().equals("W")) {
logger.debug("CML W stereo found");
bondStereo.add("1");
} else if (s.trim().equals("H")) {
logger.debug("CML H stereo found");
bondStereo.add("6");
}
} else {
super.characterData(xpath, ch, start, length);
}
}
}
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