10 #ifndef RD_FRAG_CAT_GENERATOR_H 11 #define RD_FRAG_CAT_GENERATOR_H
ROMol is a molecule class that is intended to have a fixed topology.
A Catalog with a hierarchical structure.
RDCatalog::HierarchCatalog< FragCatalogEntry, FragCatParams, int > FragCatalog
unsigned int addFragsFromMol(const ROMol &mol, FragCatalog *fcat)
Includes a bunch of functionality for handling Atom and Bond queries.
functionality for finding subgraphs and paths in molecules