30 #ifndef EEMRDKIT_H_SEPT2017 31 #define EEMRDKIT_H_SEPT2017 33 #ifdef RDK_BUILD_DESCRIPTORS3D 36 namespace Descriptors {
42 unsigned int *Atomindex;
43 unsigned int *EEMatomtype;
45 EEM_arrays() =
delete;
46 EEM_arrays(
const EEM_arrays&) =
delete;
47 void operator=(
const EEM_arrays&) =
delete;
49 EEM_arrays(
const ROMol &mol,
unsigned int n);
54 const std::string EEMVersion =
"1.0.0";
#define RDKIT_DESCRIPTORS_EXPORT