Package org.openscience.cdk.tools.manipulator

Class ChemSequenceManipulator

java.lang.Object
org.openscience.cdk.tools.manipulator.ChemSequenceManipulator
public class ChemSequenceManipulator extends Object
Class with convenience methods that provide methods from methods from ChemObjects within the ChemSequence.
See Also:

  • Constructor Details

    • ChemSequenceManipulator

      public ChemSequenceManipulator()

  • Method Details

    • getAtomCount

      public static int getAtomCount(IChemSequence sequence)
      Get the total number of atoms inside an IChemSequence.
      Parameters:
      sequence - The IChemSequence object.
      Returns:
      The number of Atom objects inside.

    • getBondCount

      public static int getBondCount(IChemSequence sequence)
      Get the total number of bonds inside an IChemSequence.
      Parameters:
      sequence - The IChemSequence object.
      Returns:
      The number of Bond objects inside.

    • getAllAtomContainers

      public static List<IAtomContainer> getAllAtomContainers(IChemSequence sequence)
      Returns all the AtomContainer's of a ChemSequence.

    • getAllChemObjects

      public static List<IChemObject> getAllChemObjects(IChemSequence sequence)
      Returns a List of all IChemObject inside a ChemSequence.
      Returns:
      A List of all ChemObjects.

    • getAllIDs

      public static List<String> getAllIDs(IChemSequence sequence)