/*
Copyright Ideaconsult Ltd.(C) 2006
Contact: nina@acad.bg
This program is free software; you can redistribute it and/or
modify it under the terms of the GNU General Public License
as published by the Free Software Foundation; either version 2
of the License, or (at your option) any later version.
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 General Public License for more details.
You should have received a copy of the GNU General Public License
along with this program; if not, write to the Free Software
Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301, USA.
*/
package sicret.rules;
import java.util.logging.Level;
import org.openscience.cdk.interfaces.IAtomContainer;
import toxTree.exceptions.DecisionMethodException;
import toxTree.tree.rules.smarts.RuleSMARTSubstructure;
import ambit2.smarts.query.SMARTSException;
/**
*
* Acrylic and methacrylic esters.
* SMARTS pattern [CX3](=[CX3])[CX3](=[OX1])[OX2]C.
* @author Nina Jeliazkova nina@acad.bg
* @author Martin Martinov
* Modified Dec 17, 2006
*/
public class RuleAcrylicAndMethacrylicEsters extends RuleSMARTSubstructure {
private static final long serialVersionUID = 0;
public RuleAcrylicAndMethacrylicEsters() {
//TODO fix sterically hindered condition (example NO fails)
super();
try {
super.initSingleSMARTS(super.smartsPatterns,"1", "[CX3](=[CX3])[CX3](=[OX1])[OX2]C");
id = "50";
title = "AcrylicAndMethacrylicEsters";
examples[0] = "O=C(O)C(=C)C";
examples[1] = "O=C(OCC)C(=C)C";
editable = false;
} catch (SMARTSException x) {
logger.log(Level.SEVERE,x.getMessage(),x);
}
}
/**
* {@link toxTree.core.IDecisionRule#verifyRule(IAtomContainer)}
*/
public boolean verifyRule(IAtomContainer mol) throws DecisionMethodException {
logger.finer(toString());
return super.verifyRule(mol);
}
/* (non-Javadoc)
* @see toxTree.tree.AbstractRule#isImplemented()
*/
public boolean isImplemented() {
return true;
}
}