Class RdfileRecord


  • public final class RdfileRecord
    extends Object
    The RdfileRecord class represents a single record of an RD file.

    Author:
    Uli Fechner
    See Also:
    RdfileReader
    • Method Detail

      • getInternalRegistryNumber

        public String getInternalRegistryNumber()
        Retrieves the internal registry number of the RdfileRecord.
        Returns:
        The internal registry number of the RdfileRecord.
      • getExternalRegistryNumber

        public String getExternalRegistryNumber()
        Retrieves the external registry number of the RdfileRecord.
        Returns:
        The external registry number of the RdfileRecord.
      • isRxnFile

        public boolean isRxnFile()
        Checks if the RdfileRecord represents a reaction file.
        Returns:
        true if the RdfileRecord represents a reaction file, false otherwise
      • isMolfile

        public boolean isMolfile()
        Checks if the RdfileRecord represents a molfile.
        Returns:
        true if the RdfileRecord represents a molfile, false otherwise
      • getAtomContainer

        public IAtomContainer getAtomContainer()
        Retrieves the AtomContainer from the RdfileRecord.
        Returns:
        the AtomContainer object if the record represents a molecule, null otherwise
      • getReaction

        public IReaction getReaction()
        Retrieves the reaction object from the RdfileRecord.
        Returns:
        the reaction object if the RdfileRecord represents a reaction, null otherwise