Package chemaxon.formats.documents.jchemoffice

Interface IMoleculeData

All Known Implementing Classes:
MoleculeData
@PublicApi public interface IMoleculeData
IMoleculeData interface contains Molecule class and related data

  • Method Details

    • getMolecule

      Molecule getMolecule() throws MolFormatException
      Returns the Molecule content of the MoleculeData
      Returns:
      Molecule
      Throws:
      MolFormatException

    • createMolecule

      Molecule createMolecule() throws MolFormatException
      Creates a Molecule content for the MoleculeData
      Returns:
      Molecule
      Throws:
      MolFormatException

    • getStructure

      String getStructure() throws IOException
      Returns the structure of the Molecule content
      Returns:
      Structure of the Molecule
      Throws:
      IOException

    • getFormat

      String getFormat()
      Returns the format of the Molecule content
      Returns:
      Format of the Molecule

    • getId

      String getId()
      Returns the id of the Molecule content
      Returns:
      Id of the Molecule

    • setId

      void setId(String id)
      Sets the Id of the Molecule content
      Parameters:
      id - - The identifier of the Molecule

    • isEmpty

      boolean isEmpty()
      Determines if we have an empty Molecule Data object.
      Returns:
      true if there is no molecule data specified.

    • getSubStructures

      IMoleculeData[] getSubStructures()
      Lists all sub structures belonging to this main structure. (e.g. reaction components)
      Returns:
      Array of sub structures

    • setSubStructures

      void setSubStructures(IMoleculeData[] subStructures)
      Assign sub structure to this main structure. (e.g. Scaffold)
      Parameters:
      List - of sub structures