org.openscience.cdk.smsd.algorithm.mcsplus

Class MCSPlus

java.lang.Object

org.openscience.cdk.smsd.algorithm.mcsplus.MCSPlus

Deprecated.

SMSD has been deprecated from the CDK with a newer, more recent version of SMSD is available at http://github.com/asad/smsd.

@Deprecated
public class MCSPlus
extends Object

This class handles MCS plus algorithm which is a combination of c-clique algorithm and McGregor algorithm.

Author:

Syed Asad Rahman <asad@ebi.ac.uk>

Source code:

master

Belongs to CDK module:

smsd

Constructor Summary

Constructors

Constructor and Description
MCSPlus() Deprecated. Default constructor added

Method Summary

Modifier and Type	Method and Description
protected List<List<Integer>>	getOverlaps(IAtomContainer ac1, IAtomContainer ac2, boolean shouldMatchBonds) Deprecated.
protected static TimeManager	getTimeManager() Deprecated.
protected static double	getTimeout() Deprecated.
static boolean	isTimeOut() Deprecated.
protected static void	setTimeManager(TimeManager aTimeManager) Deprecated.

Methods inherited from class java.lang.Object

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

Constructor Detail

MCSPlus

public MCSPlus()

Deprecated.

Default constructor added

Method Detail

getTimeout

protected static double getTimeout()

Deprecated.

Returns:

the timeout

getTimeManager

protected static TimeManager getTimeManager()

Deprecated.

Returns:

the timeManager

setTimeManager

protected static void setTimeManager(TimeManager aTimeManager)

Deprecated.

Parameters:

aTimeManager - the timeManager to set

getOverlaps

protected List<List<Integer>> getOverlaps(IAtomContainer ac1,
                                          IAtomContainer ac2,
                                          boolean shouldMatchBonds)
                                   throws CDKException

Deprecated.

Parameters:

ac1 -

ac2 -

shouldMatchBonds -

Returns:

Throws:

CDKException

isTimeOut

public static boolean isTimeOut()

Deprecated.