com.chemaxon.descriptors.alternates

Class Clean2dWrapper

java.lang.Object

com.chemaxon.descriptors.alternates.Clean2dWrapper

All Implemented Interfaces:

DescriptorWrapper

public class Clean2dWrapper
extends Object
implements DescriptorWrapper

Wrap Clean2D. The String representation is an array of arrays of the 2D coordinates.

Constructor Summary

Constructors

Constructor and Description
Clean2dWrapper(String cfg) Construct.

Method Summary

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

Methods inherited from class java.lang.Object

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

Constructor Detail

Clean2dWrapper

public Clean2dWrapper(String cfg)

Construct.

Parameters:

cfg - Configuration to pass to Cleaner.clean(chemaxon.struc.MoleculeGraph, int, 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