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void | SmilesParseOps::CheckRingClosureBranchStatus (RDKit::Atom *atom, RDKit::RWMol *mp) |
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void | SmilesParseOps::ReportParseError (const char *message, bool throwIt=true) |
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void | SmilesParseOps::CleanupAfterParseError (RDKit::RWMol *mol) |
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void | SmilesParseOps::AddFragToMol (RDKit::RWMol *mol, RDKit::RWMol *frag, RDKit::Bond::BondType bondOrder=RDKit::Bond::UNSPECIFIED, RDKit::Bond::BondDir bondDir=RDKit::Bond::NONE, bool closeRings=false, bool doingQuery=false) |
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RDKit::Bond::BondType | SmilesParseOps::GetUnspecifiedBondType (const RDKit::RWMol *mol, const RDKit::Atom *atom1, const RDKit::Atom *atom2) |
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void | SmilesParseOps::CloseMolRings (RDKit::RWMol *mol, bool toleratePartials) |
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void | SmilesParseOps::SetUnspecifiedBondTypes (RDKit::RWMol *mol) |
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void | SmilesParseOps::AdjustAtomChiralityFlags (RDKit::RWMol *mol) |
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void | SmilesParseOps::CleanupAfterParsing (RDKit::RWMol *mol) |
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void | SmilesParseOps::parseCXExtensions (RDKit::RWMol &mol, const std::string &extText, std::string::const_iterator &pos) |
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void | SmilesParseOps::ClearAtomChemicalProps (RDKit::Atom *atom) |
| removes formal charge, isotope, etc. Primarily useful for QueryAtoms More...
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