toxTree.query
Class MolAnalyser

java.lang.Object
  extended by toxTree.query.MolAnalyser

public class MolAnalyser
extends java.lang.Object

Author:
Nina Jeliazkova
Modified 2005-8-2

Field Summary
static java.lang.String HETEROAROMATIC
           
static java.lang.String HETEROCYCLIC
           
static java.lang.String HETEROCYCLIC3
           
protected static TTLogger logger
           
 
Constructor Summary
protected MolAnalyser()
           
 
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
 

Field Detail

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
Constructor Detail

MolAnalyser

protected MolAnalyser()
Method Detail

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)


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