OEDetermineStereoComplexity

OEDetermineStereoComplexity(mol: Union[OEGraphMol,OEMol,OEQMol]) -> float

Note

The molecule argument is const, so the OEPerceiveChiral perception activity must be performed prior to calling this function.

In [Boda-2007] a term was added for tetrahedral stereo complexity to the [Bertz-1981] approach. The function here reproduces that function with the addition of chiral bond stereo to the tetrahedral atom stereo.