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.

GetExtras()

returns our set of extras

GetPts()

returns our set of points

Insert(val, extra=None)

only does the insertion if val fits

reverse()