Package org.openscience.cdk.libio.cml

Interface ICMLCustomizer

All Known Implementing Classes:
MDMoleculeCustomizer, PDBAtomCustomizer, QSARCustomizer
public interface ICMLCustomizer
Interface for classes that allow the Convertor to be customized for certain features. The idea here is that the CDK build and runtime dependencies for the Convertor are lowered. For example, QSAR descriptor support and PDBAtom support can be written as Customizers.
Author:
egonw
Source code:
main
Belongs to CDK module:
interfaces
Created on:
2005-05-04

  • 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.

  • Method Details

    • customize

      void customize(IAtom atom, Object nodeToAdd) throws Exception
      Customized the nodeToAdd for the given Atom.
      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

      void customize(IBond bond, Object nodeToAdd) throws Exception
      Customized the nodeToAdd for the given IBond.
      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

      void customize(IAtomContainer molecule, Object nodeToAdd) throws Exception
      Customized the nodeToAdd for the given Molecule.
      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