public static IAtomContainer assign ( final IAtomContainer container ) { GraphUtil . EdgeToBondMap edgeToBond = GraphUtil . EdgeToBondMap . withSpaceFor ( container ) ; new NonplanarBonds ( container , GraphUtil . toAdjList ( container , edgeToBond ) , edgeToBond ) ; return container ; }
Assign non - planar up and down labels to indicate tetrahedral configuration . Currently all existing directional labels are removed before assigning new labels .