Class MDMoleculeCustomizer

java.lang.Object
org.openscience.cdk.libio.cml.MDMoleculeCustomizer
All Implemented Interfaces:
ICMLCustomizer

public class MDMoleculeCustomizer extends Object implements ICMLCustomizer
Customize persistence of MDMolecule by adding support for residues and charge groups.
Author:
ola
Source code:
main
Belongs to CDK module:
libiomd
Belongs to the set:
libio-cml-customizers
  • Constructor Details

    • MDMoleculeCustomizer

      public MDMoleculeCustomizer()
  • Method Details

    • customize

      public void customize(IBond bond, Object nodeToAdd) throws Exception
      No customization for bonds.
      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
      Customize 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
      Customize 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