11 #ifndef RD_FRAGMENT_CATALOG_UTILS_H
12 #define RD_FRAGMENT_CATALOG_UTILS_H
22 namespace MolStandardize {
23 class FragmentCatalogParams;
26 std::string fileName);
28 std::istream &inStream,
int nToRead = -1);
30 const std::vector<std::pair<std::string, std::string>> &data);
pulls in the core RDKit functionality
#define RDKIT_MOLSTANDARDIZE_EXPORT
RDKIT_MOLSTANDARDIZE_EXPORT std::vector< std::shared_ptr< ROMol > > readFuncGroups(std::string fileName)