Class ChemFileManipulator

    • Constructor Detail

      • ChemFileManipulator

        public ChemFileManipulator()
    • Method Detail

      • getAtomCount

        public static int getAtomCount​(IChemFile file)
        Get the total number of atoms inside an IChemFile.
        Parameters:
        file - The IChemFile object.
        Returns:
        The number of Atom object inside.
      • getBondCount

        public static int getBondCount​(IChemFile file)
        Get the total number of bonds inside an IChemFile.
        Parameters:
        file - The IChemFile object.
        Returns:
        The number of Bond object inside.
      • getAllChemObjects

        public static List<IChemObject> getAllChemObjects​(IChemFile file)
        Returns a List of all IChemObject inside a ChemFile.
        Returns:
        A list of all ChemObjects
      • getAllAtomContainers

        public static List<IAtomContainer> getAllAtomContainers​(IChemFile file)
        Returns all the AtomContainer's of a ChemFile.
      • getAllChemModels

        public static List<IChemModel> getAllChemModels​(IChemFile file)
        Get a list of all ChemModels inside an IChemFile.
        Parameters:
        file - The IChemFile object.
        Returns:
        The List of IChemModel objects inside.
      • getAllReactions

        public static List<IReaction> getAllReactions​(IChemFile file)
        Get a list of all IReaction inside an IChemFile.
        Parameters:
        file - The IChemFile object.
        Returns:
        The List of IReaction objects inside.