rdkit.DataStructs.TopNContainer module — The RDKit 2025.09.6 documentation

# rdkit.DataStructs.TopNContainer module

class rdkit.DataStructs.TopNContainer.TopNContainer(size, mostNeg=-1e+99)

  Bases: `object`

  maintains a sorted list of a particular number of data elements.

  if size is negative, all entries will be kept in sorted order

  GetExtras()

    returns our set of extras

  GetPts()

    returns our set of points

  Insert(val, extra=None)

    only does the insertion if val fits

  reverse()