11 #ifndef RD_FRAGMENT_REMOVER_H 12 #define RD_FRAGMENT_REMOVER_H 22 namespace MolStandardize {
35 bool skip_if_all_match =
false);
37 bool skip_if_all_match =
false);
53 bool SKIP_IF_ALL_MATCH;
62 : PREFER_ORGANIC(prefer_organic){};
69 Largest(std::string &smiles,
const boost::shared_ptr<ROMol> &fragment,
70 unsigned int &numatoms,
double &weight,
bool &organic);
boost::shared_ptr< ROMol > Fragment
RDKIT_MOLSTANDARDIZE_EXPORT const CleanupParameters defaultCleanupParameters
A Catalog with a hierarchical structure.
LargestFragmentChooser(bool prefer_organic=false)
Defines the CleanupParameters and some convenience functions.
RDCatalog::HierarchCatalog< FragmentCatalogEntry, FragmentCatalogParams, int > FragmentCatalog
#define RDKIT_MOLSTANDARDIZE_EXPORT
~LargestFragmentChooser()