com.chemaxon.descriptors.alternates

Interface DescriptorWrapper

All Known Implementing Classes:

CfpBsWrapper, CfpDsWrapper, Clean2dWrapper, EcfpBsWrapper, EcfpDsWrapper, Maccs166BinaryString, OverlapAnalysisContextWrapper, Pf2dWrapper

public interface DescriptorWrapper

Descriptor wrapper.

Implementing classes are expected to have a constructor with a String argument for configurations.

Method Summary

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

Method Detail

execute

String execute(Molecule m)
        throws Exception

Execute descriptor generation and output transformation.

Parameters:

m - Molecule to generate descriptor on

Returns:

Non-escaped String representation of the descriptor

Throws:

Exception - If error occurred during execution