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.
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:
- main
- Belongs to CDK module:
- smsd
-
Constructor Summary
Constructors -
Method Summary
Modifier and TypeMethodDescriptiongetOverlaps
(IAtomContainer ac1, IAtomContainer ac2, boolean shouldMatchBonds) Deprecated.protected static TimeManager
Deprecated.protected static double
Deprecated.static boolean
Deprecated.protected static void
setTimeManager
(TimeManager aTimeManager) Deprecated.
-
Constructor Details
-
MCSPlus
public MCSPlus()Deprecated.Default constructor added
-
-
Method Details
-
getTimeout
protected static double getTimeout()Deprecated.- Returns:
- the timeout
-
getTimeManager
Deprecated.- Returns:
- the timeManager
-
setTimeManager
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.
-