OEGetMomentsOfInertiaTransform

OEGetMomentsOfInertiaTransform(argTransform: OETrans,
                               argMol: Union[OEGraphMol,OEMol,OEQMol],
                               argThreshold: float = 0.15) -> int
OEGetMomentsOfInertiaTransform(argTransform: OETrans,
                               argGrid: OEScalarGrid,
                               argThreshold: float = 0.15) -> int
OEGetMomentsOfInertiaTransform(argTransform: OETrans,
                               argQuery: OEShapeQuery,
                               argThreshold: float = 0.15) -> int

Calculate the transform required to move the object (the specified molecule, grid or the shape query) to the center of its inertial frame. Method returns the moments symmetry of the object defined in the OEMomentSymmetry namespace. The required transform is returned in the first argument.