15 #include "../RDKitBase.h" 37 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;!$(*=,#[!#6])]!@!=!#[*]");
58 std::vector<std::pair<ROMOL_SPTR, ROMOL_SPTR> >& result,
61 unsigned int maxCutBonds,
62 const std::string& pattern =
"[#6+0;!$(*=,#[!#6])]!@!=!#[*]");
78 std::vector<std::pair<ROMOL_SPTR, ROMOL_SPTR> >& result,
79 const std::vector<unsigned int>& bondsToCut,
80 unsigned int minCuts = 1,
81 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