OEBroodOverlayBase

Attention

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

class OEBroodOverlayBase

This is a base class for fragment overlay optimization.

The OEBroodOverlayBase class defines the following public methods:

• Overlay

Overlay

unsigned Overlay(OEChem::OEMCMolBase& fragment, OEBroodScore& score)

Performs overlay optimization of the specified fragment. Populates the provided OEBroodScore with optimization results. Returns the status of the optimization; see OEBroodStatusCode for possible values.