Class MDMoleculeConvention

java.lang.Object
org.openscience.cdk.io.cml.CMLCoreModule
org.openscience.cdk.io.cml.MDMoleculeConvention
All Implemented Interfaces:
ICMLModule

public class MDMoleculeConvention extends CMLCoreModule
Implements a Convention for parsing an MDMolecule from CML.
Author:
Ola Spjuth <ola.spjuth@farmbio.uu.se>
Source code:
main
Belongs to CDK module:
libiomd
  • Constructor Details

    • MDMoleculeConvention

      public MDMoleculeConvention(IChemFile chemFile)
    • MDMoleculeConvention

      public MDMoleculeConvention(ICMLModule conv)
  • Method Details

    • startElement

      public void startElement(org.openscience.cdk.io.cml.CMLStack xpath, String uri, String local, String raw, Attributes atts)
      Add parsing of elements in mdmolecule: mdmolecule chargeGroup id cgNumber atomArray switchingAtom residue id title resNumber atomArray
      Specified by:
      startElement in interface ICMLModule
      Overrides:
      startElement in class CMLCoreModule
      To do:
      The JavaDoc of this class needs to be converted into HTML
    • endElement

      public void endElement(org.openscience.cdk.io.cml.CMLStack xpath, String uri, String name, String raw)
      Finish up parsing of elements in mdmolecule.
      Specified by:
      endElement in interface ICMLModule
      Overrides:
      endElement in class CMLCoreModule