Class Convertor

java.lang.Object
org.openscience.cdk.libio.cml.Convertor

public class Convertor extends Object
Source code:
main
Belongs to CDK module:
libiocml
Keywords:
CML, class convertor
Requires:
java1.5+
  • Field Details

  • Constructor Details

    • Convertor

      public Convertor(boolean useCMLIDs, String prefix)
      Constructs a CML convertor.
      Parameters:
      useCMLIDs - Uses object IDs like 'a1' instead of 'a<hash>'.
      prefix - Namespace prefix to use. If null, then no prefix is used;
  • Method Details

    • registerCustomizer

      public void registerCustomizer(ICMLCustomizer customizer)
    • cdkChemFileToCMLList

      public org.xmlcml.cml.element.CMLCml cdkChemFileToCMLList(IChemFile file)
    • cdkChemSequenceToCMLList

      public org.xmlcml.cml.element.CMLList cdkChemSequenceToCMLList(IChemSequence sequence)
    • cdkChemModelToCMLList

      public org.xmlcml.cml.element.CMLList cdkChemModelToCMLList(IChemModel model)
    • cdkReactionSchemeToCMLReactionSchemeAndMoleculeList

      public org.xmlcml.cml.element.CMLCml cdkReactionSchemeToCMLReactionSchemeAndMoleculeList(IReactionScheme cdkScheme)
    • cdkReactionSchemeToCMLReactionScheme

      public org.xmlcml.cml.element.CMLReactionScheme cdkReactionSchemeToCMLReactionScheme(IReactionScheme cdkScheme)
    • cdkReactionToCMLReactionStep

      public org.xmlcml.cml.element.CMLReactionStep cdkReactionToCMLReactionStep(IReaction reaction)
    • cdkReactionSetToCMLReactionList

      public org.xmlcml.cml.element.CMLReactionList cdkReactionSetToCMLReactionList(IReactionSet reactionSet)
    • cdkAtomContainerSetToCMLList

      public org.xmlcml.cml.element.CMLMoleculeList cdkAtomContainerSetToCMLList(IAtomContainerSet moleculeSet)
    • cdkReactionToCMLReaction

      public org.xmlcml.cml.element.CMLReaction cdkReactionToCMLReaction(IReaction reaction)
    • cdkCrystalToCMLMolecule

      public org.xmlcml.cml.element.CMLMolecule cdkCrystalToCMLMolecule(ICrystal crystal)
    • cdkPDBPolymerToCMLMolecule

      public org.xmlcml.cml.element.CMLMolecule cdkPDBPolymerToCMLMolecule(IPDBPolymer pdbPolymer)
    • cdkMonomerToCMLMolecule

      public org.xmlcml.cml.element.CMLMolecule cdkMonomerToCMLMolecule(IMonomer monomer)
    • cdkAtomContainerToCMLMolecule

      public org.xmlcml.cml.element.CMLMolecule cdkAtomContainerToCMLMolecule(IAtomContainer structure)
    • cdkAtomToCMLAtom

      public org.xmlcml.cml.element.CMLAtom cdkAtomToCMLAtom(IAtom cdkAtom)
    • cdkAtomToCMLAtom

      public org.xmlcml.cml.element.CMLAtom cdkAtomToCMLAtom(IAtomContainer container, IAtom cdkAtom)
    • cdkBondToCMLBond

      public org.xmlcml.cml.element.CMLBond cdkBondToCMLBond(IBond cdkBond)