Searched refs:numSmiles (Results 1 – 3 of 3) sorted by relevance
| /dports/science/rdkit/rdkit-Release_2021_03_5/Code/GraphMol/SmilesParse/ |
| H A D | SmilesWrite.h | 96 const ROMol &mol, unsigned int numSmiles, unsigned int randomSeed = 0,
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| H A D | SmilesWrite.cpp | 587 const ROMol &mol, unsigned int numSmiles, unsigned int randomSeed, in MolToRandomSmilesVect() argument
594 res.reserve(numSmiles); in MolToRandomSmilesVect()
595 for (unsigned int i = 0; i < numSmiles; ++i) { in MolToRandomSmilesVect()
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| /dports/science/rdkit/rdkit-Release_2021_03_5/Code/GraphMol/Wrap/ |
| H A D | rdmolfiles.cpp | 386 python::list MolToRandomSmilesHelper(const ROMol &mol, unsigned int numSmiles, in MolToRandomSmilesHelper() argument
391 auto res = MolToRandomSmilesVect(mol, numSmiles, randomSeed, doIsomericSmiles, in MolToRandomSmilesHelper()
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