42 const ROMol &mol, std::vector<std::pair<ROMOL_SPTR, ROMOL_SPTR>> &result,
43 unsigned int maxCuts = 3,
unsigned int maxCutBonds = 20,
44 const std::string &pattern =
"[#6+0;!$(*=,#[!#6])]!@!=!#[*]");
63 const ROMol &mol, std::vector<std::pair<ROMOL_SPTR, ROMOL_SPTR>> &result,
64 unsigned int minCuts,
unsigned int maxCuts,
unsigned int maxCutBonds,
65 const std::string &pattern =
"[#6+0;!$(*=,#[!#6])]!@!=!#[*]");
81 const ROMol &mol, std::vector<std::pair<ROMOL_SPTR, ROMOL_SPTR>> &result,
82 const std::vector<unsigned int> &bondsToCut,
unsigned int minCuts = 1,
83 unsigned int maxCuts = 3);
RDKIT_MMPA_EXPORT 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])]!@!=!#[*]")