com.chemaxon.descriptors.alternates

Class EcfpDsWrapper

java.lang.Object

com.chemaxon.descriptors.alternates.EcfpDsWrapper

All Implemented Interfaces:

DescriptorWrapper

public class EcfpDsWrapper
extends Object
implements DescriptorWrapper

Wrapper for ECFP - folded binary vector as default decimal string.

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

Constructor Summary

Constructors

Constructor and Description
EcfpDsWrapper(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

EcfpDsWrapper

public EcfpDsWrapper(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