org.openscience.cdk.tools

Class DeAromatizationTool

java.lang.Object

org.openscience.cdk.tools.DeAromatizationTool

Deprecated.

the newer Kekulization provides a faster, more generic and comprehensive algorithm.

@Deprecated
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

Source code:

master

Belongs to CDK module:

extra

Keywords:

aromatic ring, bond order adjustment

Created on:

13. April 2005

Constructor Summary

Constructors

Constructor and Description
DeAromatizationTool() Deprecated.

Method Summary

Methods

Modifier and Type	Method and Description
static void	Dearomatize(IAtomContainer molecule) Deprecated.
static boolean	deAromatize(IRing ring) Deprecated. Methods that takes a ring of which all bonds are aromatic, and assigns single and double bonds.
static boolean	Dearomatize566Rings(IRingSet rings) Deprecated.
static boolean	Dearomatize56Rings(IRingSet rings) Deprecated.
static boolean	Dearomatize5Ring(IRingSet rings) Deprecated.
static boolean	Dearomatize666Rings(IRingSet rings) Deprecated.
static boolean	Dearomatize66Rings(IRingSet rings) Deprecated.
static boolean	Dearomatize6Ring(IRingSet rings) Deprecated.

Methods inherited from class java.lang.Object

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

Constructor Detail

DeAromatizationTool

public DeAromatizationTool()

Deprecated.

Method Detail

deAromatize

public static boolean deAromatize(IRing ring)

Deprecated.

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

Dearomatize

public static void Dearomatize(IAtomContainer molecule)

Deprecated.

Dearomatize666Rings

public static boolean Dearomatize666Rings(IRingSet rings)

Deprecated.

Dearomatize566Rings

public static boolean Dearomatize566Rings(IRingSet rings)

Deprecated.

Dearomatize66Rings

public static boolean Dearomatize66Rings(IRingSet rings)

Deprecated.

Dearomatize56Rings

public static boolean Dearomatize56Rings(IRingSet rings)

Deprecated.

Dearomatize6Ring

public static boolean Dearomatize6Ring(IRingSet rings)

Deprecated.

Dearomatize5Ring

public static boolean Dearomatize5Ring(IRingSet rings)

Deprecated.