OENoOpLigandAligner

Attention

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

class OENoOpLigandAligner : public OELigandAlignerBase

The OENoOpLigandAligner class is the default no-op ligand aligner. This means that the 2D coordinates of the ligand are only determined by the 3D coordinates of the bound ligand.

The following methods are publicly inherited from OELigandAlignerBase:

CreateCopy

operator()

Constructors

OENoOpLigandAligner() -> OENoOpLigandAligner

Default constructor.

operator()

__call__(arg2: Union[OEGraphMol,OEMol,OEQMol]) -> bool

No-op implementation always returns true.

CreateCopy

CreateCopy() -> OELigandAlignerBase

Deep copy constructor that returns a copy of the object. The memory for the returned OENoOpLigandAligner object is dynamically allocated and owned by the caller.