37 #ifndef WHIMRDKIT_H_SEPT2016 38 #define WHIMRDKIT_H_SEPT2016 40 #ifdef RDK_BUILD_DESCRIPTORS3D 43 namespace Descriptors {
44 const std::string WHIMVersion =
"1.0.0";
46 double th = 0.001,
const std::string &customAtomPropName =
"");
#define RDKIT_DESCRIPTORS_EXPORT