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 int confId = -1,
double th = 0.001,
47 const std::string &customAtomPropName =
"");