com.chemaxon.descriptors.alternates

Class Pf2dWrapper

java.lang.Object

com.chemaxon.descriptors.alternates.Pf2dWrapper

All Implemented Interfaces:

DescriptorWrapper

public class Pf2dWrapper
extends Object
implements DescriptorWrapper

Wrapper for Pf2d fingerprints.

The underlying float array of the wrapped PharmacophoreFingerprint is printed as a tab sep line without further formatting (in contrast to the functionality of PharmacophoreFingerprint.toDecimalString() to limit the possibility of implementation specific deviations.

Constructor Summary

Constructors

Constructor and Description
Pf2dWrapper(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

Pf2dWrapper

public Pf2dWrapper(String cfg)

Construct new instance.

Parameters:

cfg - Config String for underlying PFParameters.PFParameters(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