OEHitlistBase

Attention

This is a preliminary API and may be improved based on user feedback. It is currently available in C++ and Python.

class OEHitlistBase

This is an abstract base class for hit list management that defines the common interface for collecting and filtering bioisosteric hits.

The following classes have been derived from this class:

The OEHitlistBase class defines the following public methods:

Build

GetAddCount

GetDuplicateCount

GetHitCount

Build

virtual bool Build(const bool final = true) = 0

This method builds and finalizes the hit list, performing duplicate filtering and hit list creation. The final parameter controls whether this is the final build (true) or an intermediate build (false).

GetAddCount

unsigned GetAddCount() const

This method returns the total number of entries submitted to the hit list.

GetDuplicateCount

unsigned GetDuplicateCount() const

This method returns the number of entries recognized as duplicates.

GetHitCount

unsigned GetHitCount() const

This method returns the number of retained hits currently in the hit list.