18 namespace Descriptors {
19 const std::string BCUT2DVersion =
"1.0.0";
29 std::pair<double,double> BCUT2D(
const ROMol &mol,
const std::vector<double> &atom_props);
40 std::pair<double,double> BCUT2D(
const ROMol &mol,
const std::string &atom_propname);
54 std::vector<double> BCUT2D(
const ROMol &m);
#define RDKIT_DESCRIPTORS_EXPORT