rdkit.DataStructs.TopNContainer module¶
- class rdkit.DataStructs.TopNContainer.TopNContainer(size, mostNeg=-1e+99)¶
Bases:
objectmaintains 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()¶
