48 namespace Descriptors {
64 std::vector<double> &descriptor,
82 const ROMol &mol, std::vector<double> &descriptor,
83 std::vector<std::vector<unsigned int>> &atomIds,
int confId = -1);
94 std::vector<std::vector<double>> &dist,
95 std::vector<RDGeom::Point3D> &points);
107 const std::vector<RDGeom::Point3D> &points,
108 std::vector<std::vector<double>> &dist);
118 const std::vector<std::vector<double>> &dist,
119 std::vector<double> &descriptor);
131 const std::vector<double> &d1,
const std::vector<double> &d2,
132 const std::vector<double> &weights);