37 #ifndef GETAWAYRDKIT_H_SEPT2016 38 #define GETAWAYRDKIT_H_SEPT2016 40 #ifdef RDK_BUILD_DESCRIPTORS3D 43 namespace Descriptors {
44 const std::string GETAWAYVersion =
"1.0.0";
45 RDKIT_DESCRIPTORS_EXPORT void GETAWAY(
const ROMol&, std::vector<double> &res,
int confId=-1,
unsigned int precision=2,
46 const std::string &customAtomPropName=
"");
#define RDKIT_DESCRIPTORS_EXPORT