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RDKit
Open-source cheminformatics and machine learning.
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Functions | |
RDKIT_GRAPHMOL_EXPORT void | KekulizeFragment (RWMol &mol, const boost::dynamic_bitset<> &atomsToUse, boost::dynamic_bitset<> bondsToUse, bool markAtomsBonds=true, unsigned int maxBackTracks=100) |
not recommended for use in other code More... | |
RDKIT_GRAPHMOL_EXPORT std::vector< int > | hapticBondEndpoints (const Bond *bond) |
RDKIT_GRAPHMOL_EXPORT std::vector<int> RDKit::MolOps::details::hapticBondEndpoints | ( | const Bond * | bond | ) |
RDKIT_GRAPHMOL_EXPORT void RDKit::MolOps::details::KekulizeFragment | ( | RWMol & | mol, |
const boost::dynamic_bitset<> & | atomsToUse, | ||
boost::dynamic_bitset<> | bondsToUse, | ||
bool | markAtomsBonds = true , |
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unsigned int | maxBackTracks = 100 |
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not recommended for use in other code