toxTree.query
Class MolAnalyser
java.lang.Object
toxTree.query.MolAnalyser
public class MolAnalyser
- extends java.lang.Object
- Author:
- Nina Jeliazkova
Modified 2005-8-2
Method Summary |
static void |
analyse(org.openscience.cdk.interfaces.IAtomContainer mol)
|
static void |
clearVisitedFlags(org.openscience.cdk.interfaces.IAtomContainer mol)
|
static void |
printBuilders(org.openscience.cdk.interfaces.IAtomContainer mol)
|
Methods inherited from class java.lang.Object |
clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait |
logger
protected static TTLogger logger
HETEROCYCLIC
public static final java.lang.String HETEROCYCLIC
- See Also:
- Constant Field Values
HETEROCYCLIC3
public static final java.lang.String HETEROCYCLIC3
- See Also:
- Constant Field Values
HETEROAROMATIC
public static final java.lang.String HETEROAROMATIC
- See Also:
- Constant Field Values
MolAnalyser
protected MolAnalyser()
printBuilders
public static void printBuilders(org.openscience.cdk.interfaces.IAtomContainer mol)
analyse
public static void analyse(org.openscience.cdk.interfaces.IAtomContainer mol)
throws MolAnalyseException
- Throws:
MolAnalyseException
clearVisitedFlags
public static void clearVisitedFlags(org.openscience.cdk.interfaces.IAtomContainer mol)
Copyright © 2004-2012 Ideaconsult Ltd.. All Rights Reserved.