double RDKIT_ALIGNMENT_EXPORT AlignPoints(const RDGeom::Point3DConstPtrVect &refPoints, const RDGeom::Point3DConstPtrVect &probePoints, RDGeom::Transform3D &trans, const DoubleVector *weights=nullptr, bool reflect=false, unsigned int maxIterations=50)
Compute an optimal alignment (minimum sum of squared distance) between two sets of points in 3D.