Package org.openscience.cdk.libio.cml

Class QSARCustomizer

java.lang.Object

org.openscience.cdk.libio.cml.QSARCustomizer

All Implemented Interfaces:

ICMLCustomizer

public class QSARCustomizer
extends Object
implements ICMLCustomizer

Customizer for the libio-cml Convertor to be able to export details for QSAR descriptors calculated for Molecules.

Author:

egonw

Source code:

main

Belongs to CDK module:

qsarcml

Created on:

2005-05-04

Requires:

java1.5+

Constructor Summary

Constructors

Constructor	Description
QSARCustomizer()

Method Summary

Modifier and Type	Method	Description
void	customize(IAtomContainer molecule, Object nodeToAdd)	Customized the nodeToAdd for the given Molecule.
void	customize(IAtom atom, Object nodeToAdd)	Customized the nodeToAdd for the given Atom.
void	customize(IBond bond, Object nodeToAdd)	Customized the nodeToAdd for the given IBond.

Methods inherited from class java.lang.Object

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

Constructor Detail

QSARCustomizer

public QSARCustomizer()

Method Detail

customize

public void customize(IBond bond,
                      Object nodeToAdd)
               throws Exception

Description copied from interface: ICMLCustomizer

Customized the nodeToAdd for the given IBond.

Specified by:

customize in interface ICMLCustomizer

Parameters:

bond - Bond to base the customization on

nodeToAdd - XOM Element to customize

Throws:

Exception - thrown if nodeToAdd is not an instance of nu.xom.Element

customize

public void customize(IAtom atom,
                      Object nodeToAdd)
               throws Exception

Description copied from interface: ICMLCustomizer

Customized the nodeToAdd for the given Atom.

Specified by:

customize in interface ICMLCustomizer

Parameters:

atom - Atom to base the customization on

nodeToAdd - XOM Element to customize

Throws:

Exception - thrown if nodeToAdd is not an instance of nu.xom.Element

customize

public void customize(IAtomContainer molecule,
                      Object nodeToAdd)
               throws Exception

Description copied from interface: ICMLCustomizer

Customized the nodeToAdd for the given Molecule.

Specified by:

customize in interface ICMLCustomizer

Parameters:

molecule - Molecule to base the customization on

nodeToAdd - XOM Element to customize

Throws:

Exception - thrown if nodeToAdd is not an instance of nu.xom.Element