com.chemaxon.descriptors.alternates

Class EcfpBsWrapper

java.lang.Object

com.chemaxon.descriptors.alternates.EcfpBsWrapper

All Implemented Interfaces:

DescriptorWrapper

public class EcfpBsWrapper
extends Object
implements DescriptorWrapper

Wrapper for ECFP - folded binary vector as binary string.

This wrapper exposes the folded binary vector representation for the fingerprints.

Constructor Summary

Constructors

Constructor and Description
EcfpBsWrapper(String cfg) Construct new instance.

Method Summary

Modifier and Type	Method and Description
String	execute(Molecule m) Execute descriptor generation and output transformation.
String	toString()

Methods inherited from class java.lang.Object

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

Constructor Detail

EcfpBsWrapper

public EcfpBsWrapper(String cfg)

Construct new instance.

Parameters:

cfg - Config String for underlying ECFPParameters.ECFPParameters(java.lang.String)

Method Detail

execute

public String execute(Molecule m)
               throws Exception

Description copied from interface: DescriptorWrapper

Execute descriptor generation and output transformation.

Specified by:

execute in interface DescriptorWrapper

Parameters:

m - Molecule to generate descriptor on

Returns:

Non-escaped String representation of the descriptor

Throws:

Exception - If error occurred during execution

toString

public String toString()

Overrides:

toString in class Object