OEGridScoreType

Attention

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

This namespace controls the type of score to be used in the fit and returned by the AddShapeGaussians and AddColorGaussians methods of OEShapeQuery. This is processed via the options class OEShapeQueryOptions.

CosAngle

Maximizes the cosine angle between two vectorized grids: the first from the input grid and the second from the one that follows from fitted Gaussians. This measure is insensitive to overall normalization of the input grid.

Tanimoto

Maximizes the Tanimoto between the input grid and the grid that follows from fitted Gaussians. This measure depends on self-overlaps of the input grid and the grid that follows from fitted Gaussians. Consequently, it is sensitive to the overall coefficient of the input grid.