org.openscience.cdk.tools

Class DeAromatizationTool

java.lang.Object

org.openscience.cdk.tools.DeAromatizationTool

@TestClass(value="org.openscience.cdk.tools.DeAromatizationToolTest")
public class DeAromatizationTool
extends Object

Methods that takes a ring of which all bonds are aromatic, and assigns single and double bonds. It does this in a non-general way by looking at the ring size and take everything as a special case.

Author:

seb

Keywords:

aromatic ring, bond order adjustment

Created on:

13. April 2005

Belongs to CDK module:

extra

Source code:

master

Constructor Summary

Constructors

Constructor and Description
DeAromatizationTool()

Method Summary

Methods

Modifier and Type	Method and Description
static boolean	deAromatize(IRing ring) Methods that takes a ring of which all bonds are aromatic, and assigns single and double bonds.

Methods inherited from class java.lang.Object

equals, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Constructor Detail

DeAromatizationTool

public DeAromatizationTool()

Method Detail

deAromatize

@TestMethod(value="testDeAromatize_IRing,testPyridine,testBezene")
public static boolean deAromatize(IRing ring)

Methods that takes a ring of which all bonds are aromatic, and assigns single and double bonds. It does this in a non-general way by looking at the ring size and take everything as a special case.

Parameters:

ring - Ring to dearomatize

Returns:

False if it could not convert the aromatic ring bond into single and double bonds