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org.openscience.cdk.io.cml.CDKConvention Maven / Gradle / Ivy
/* Copyright (C) 2002-2007 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 java.util.StringTokenizer;
import org.openscience.cdk.interfaces.IChemFile;
import org.openscience.cdk.tools.manipulator.BondManipulator;
import org.xml.sax.Attributes;
/**
* This is an implementation for the CDK convention.
*
* @cdk.module io
* @cdk.githash
*
* @author egonw
*/
public class CDKConvention extends CMLCoreModule {
private boolean isBond;
public CDKConvention(IChemFile chemFile) {
super(chemFile);
}
public CDKConvention(ICMLModule conv) {
super(conv);
}
@Override
public void startDocument() {
super.startDocument();
isBond = false;
}
@Override
public void startElement(CMLStack xpath, String uri, String local, String raw, Attributes atts) {
isBond = false;
if (xpath.toString().endsWith("string/")) {
for (int i = 0; i < atts.getLength(); i++) {
if (atts.getQName(i).equals("buildin") && atts.getValue(i).equals("order")) {
isBond = true;
}
}
} else {
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 (isBond) {
logger.debug("CharData (bond): " + s);
StringTokenizer st = new StringTokenizer(s);
while (st.hasMoreElements()) {
String border = (String) st.nextElement();
logger.debug("new bond order: " + border);
// assume cdk bond object has already started
// cdo.setObjectProperty("Bond", "order", border);
currentBond.setOrder(BondManipulator.createBondOrder(Double.parseDouble(border)));
}
} else {
super.characterData(xpath, ch, start, length);
}
}
}
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