Class GraphUtil.EdgeToBondMap

  • Enclosing class:
    GraphUtil

    public static final class GraphUtil.EdgeToBondMap
    extends Object
    Utility for storing IBonds indexed by vertex end points.
    • Method Detail

      • get

        public IBond get​(int v,
                         int w)
        Access the bond store at the end points v and w. If no bond is store, null is returned.
        Parameters:
        v - an endpoint
        w - another endpoint
        Returns:
        the bond stored for the endpoints
      • withSpaceFor

        public static GraphUtil.EdgeToBondMap withSpaceFor​(IAtomContainer container)
        Create a map with enough space for all the bonds in the molecule, container. Note - the map is not filled by this method.
        Parameters:
        container - the container
        Returns:
        a map with enough space for the container