OEBroodFragPrep

Attention

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

class OEBroodFragPrep

This class provides facilities to prepare fragments for overlay calculations using OEBroodOverlay or OEFragOverlay.

The OEBroodFragPrep class defines the following public methods:

• Prep

Constructors

OEBroodFragPrep()

Default constructor.

Prep

bool Prep(OEChem::OEMCMolBase& fragment)

Prepares the specified fragment for overlay optimization.