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static void org::openscience::cdk::tools::manipulator::AtomContainerSetManipulator::sort ( IAtomContainerSet  atomContainerSet ) [inline, static]

Sorts the IAtomContainers in the given IAtomContainerSet by the following criteria with decreasing priority:

  • Compare atom count
  • Compare molecular weight (heavy atoms only)
  • Compare bond count
  • Compare sum of bond orders (heavy atoms only)

If no difference can be found with the above criteria, the IAtomContainers are considered equal.

atomContainerSetThe collection of IAtomContainer objects

Definition at line 235 of file AtomContainerSetManipulator.java.

References getAllAtomContainers().

Referenced by org::openscience::cdk::layout::StructureDiagramGenerator::generateCoordinates().

        List<IAtomContainer> atomContainerList = AtomContainerSetManipulator.getAllAtomContainers(atomContainerSet);
        Collections.sort(atomContainerList, new AtomContainerComparator());
        for (Object anAtomContainerList : atomContainerList)
            atomContainerSet.addAtomContainer((IAtomContainer) anAtomContainerList);

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