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 Details

    • QSARCustomizer

      public QSARCustomizer()
  • Method Details

    • 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