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RDKIT_SMILESPARSE_EXPORT void | SmilesParseOps::CheckRingClosureBranchStatus (RDKit::Atom *atom, RDKit::RWMol *mp) |
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RDKIT_SMILESPARSE_EXPORT void | SmilesParseOps::ReportParseError (const char *message, bool throwIt=true) |
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RDKIT_SMILESPARSE_EXPORT void | SmilesParseOps::CleanupAfterParseError (RDKit::RWMol *mol) |
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RDKIT_SMILESPARSE_EXPORT void | SmilesParseOps::AddFragToMol (RDKit::RWMol *mol, RDKit::RWMol *frag, RDKit::Bond::BondType bondOrder=RDKit::Bond::UNSPECIFIED, RDKit::Bond::BondDir bondDir=RDKit::Bond::NONE) |
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RDKIT_SMILESPARSE_EXPORT RDKit::Bond::BondType | SmilesParseOps::GetUnspecifiedBondType (const RDKit::RWMol *mol, const RDKit::Atom *atom1, const RDKit::Atom *atom2) |
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RDKIT_SMILESPARSE_EXPORT void | SmilesParseOps::CheckChiralitySpecifications (RDKit::RWMol *mol, bool strict) |
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RDKIT_SMILESPARSE_EXPORT void | SmilesParseOps::CloseMolRings (RDKit::RWMol *mol, bool toleratePartials) |
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RDKIT_SMILESPARSE_EXPORT void | SmilesParseOps::SetUnspecifiedBondTypes (RDKit::RWMol *mol) |
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RDKIT_SMILESPARSE_EXPORT void | SmilesParseOps::AdjustAtomChiralityFlags (RDKit::RWMol *mol) |
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RDKIT_SMILESPARSE_EXPORT void | SmilesParseOps::CleanupAfterParsing (RDKit::RWMol *mol) |
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RDKIT_SMILESPARSE_EXPORT void | SmilesParseOps::parseCXExtensions (RDKit::RWMol &mol, const std::string &extText, std::string::const_iterator &pos, unsigned int startAtomIdx=0, unsigned int startBondIdx=0) |
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void | SmilesParseOps::parseCXExtensions (RDKit::RWMol &mol, const std::string &extText, unsigned int startAtomIdx, unsigned int startBondIdx) |
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RDKIT_SMILESPARSE_EXPORT void | SmilesParseOps::ClearAtomChemicalProps (RDKit::Atom *atom) |
| removes formal charge, isotope, etc. Primarily useful for QueryAtoms
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RDKIT_SMILESPARSE_EXPORT bool | SmilesParseOps::checkChiralPermutation (int chiralTag, int permutation) |
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RDKIT_SMILESPARSE_EXPORT RDKit::QueryBond * | SmilesParseOps::getUnspecifiedQueryBond (const RDKit::Atom *a1, const RDKit::Atom *a2) |
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