15#ifdef RDK_BUILD_DESCRIPTORS3D
18namespace Descriptors {
23 bool useAtomicMasses =
true,
25const std::string NPR1Version =
"1.0.0";
30 bool useAtomicMasses =
true,
32const std::string NPR2Version =
"1.0.0";
36 bool useAtomicMasses =
true,
38const std::string PMI1Version =
"1.0.0";
41 bool useAtomicMasses =
true,
43const std::string PMI2Version =
"1.0.0";
46 bool useAtomicMasses =
true,
48const std::string PMI3Version =
"1.0.0";
60 bool useAtomicMasses =
true,
62const std::string radiusOfGyrationVersion =
"1.0.0";
74 bool useAtomicMasses =
true,
76const std::string inertialShapeFactorVersion =
"1.0.0";
87 bool useAtomicMasses =
true,
89const std::string eccentricityVersion =
"1.0.0";
109 bool useAtomicMasses =
true,
111const std::string asphericityVersion =
"1.0.0";
124const std::string spherocityIndexVersion =
"1.0.0";
#define RDKIT_DESCRIPTORS_EXPORT