14 #include "../RDKitBase.h" 36 std::vector<std::pair<ROMOL_SPTR, ROMOL_SPTR> >& result,
37 unsigned int maxCuts = 3,
unsigned int maxCutBonds = 20,
38 const std::string& pattern =
"[#6+0;!$(*=,#[!#6])]!@!=!#[*]");
ROMol is a molecule class that is intended to have a fixed topology.
bool fragmentMol(const ROMol &mol, std::vector< std::pair< ROMOL_SPTR, ROMOL_SPTR > > &result, unsigned int maxCuts=3, unsigned int maxCutBonds=20, const std::string &pattern="[#6+0;!$(*=,#[!#6])]!@!=!#[*]")
Includes a bunch of functionality for handling Atom and Bond queries.