15 #include "../RDKitBase.h" 37 const ROMol& mol, std::vector<std::pair<ROMOL_SPTR, ROMOL_SPTR>>& result,
38 unsigned int maxCuts = 3,
unsigned int maxCutBonds = 20,
39 const std::string& pattern =
"[#6+0;!$(*=,#[!#6])]!@!=!#[*]");
58 const ROMol& mol, std::vector<std::pair<ROMOL_SPTR, ROMOL_SPTR>>& result,
59 unsigned int minCuts,
unsigned int maxCuts,
unsigned int maxCutBonds,
60 const std::string& pattern =
"[#6+0;!$(*=,#[!#6])]!@!=!#[*]");
76 const ROMol& mol, std::vector<std::pair<ROMOL_SPTR, ROMOL_SPTR>>& result,
77 const std::vector<unsigned int>& bondsToCut,
unsigned int minCuts = 1,
78 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])]!@!=!#[*]")
#define RDKIT_MMPA_EXPORT