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RDKIT_ABBREVIATIONS_EXPORT std::vector< AbbreviationDefinition > | RDKit::Abbreviations::Utils::getDefaultAbbreviations () |
| returns the default set of abbreviation definitions
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RDKIT_ABBREVIATIONS_EXPORT std::vector< AbbreviationDefinition > | RDKit::Abbreviations::Utils::getDefaultLinkers () |
| returns the default set of linker definitions
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RDKIT_ABBREVIATIONS_EXPORT std::vector< AbbreviationDefinition > | RDKit::Abbreviations::Utils::parseAbbreviations (const std::string &text, bool removeExtraDummies=false, bool allowConnectionToDummies=false) |
| parses a string describing abbreviation matches and returns the result
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std::vector< AbbreviationDefinition > | RDKit::Abbreviations::Utils::parseLinkers (const std::string &text) |
| equivalent to calling parseAbbreviations(text,true,true)
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RDKIT_ABBREVIATIONS_EXPORT std::vector< AbbreviationMatch > | RDKit::Abbreviations::findApplicableAbbreviationMatches (const ROMol &mol, const std::vector< AbbreviationDefinition > &abbrevs, double maxCoverage=0.4) |
| returns all matches for the abbreviations across the molecule
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RDKIT_ABBREVIATIONS_EXPORT void | RDKit::Abbreviations::applyMatches (RWMol &mol, const std::vector< AbbreviationMatch > &matches) |
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RDKIT_ABBREVIATIONS_EXPORT void | RDKit::Abbreviations::labelMatches (RWMol &mol, const std::vector< AbbreviationMatch > &matches) |
| creates "SUP" SubstanceGroups on the molecule describing the abbreviation
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RDKIT_ABBREVIATIONS_EXPORT void | RDKit::Abbreviations::condenseMolAbbreviations (RWMol &mol, const std::vector< AbbreviationDefinition > &abbrevs, double maxCoverage=0.4, bool sanitize=true) |
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RDKIT_ABBREVIATIONS_EXPORT void | RDKit::Abbreviations::labelMolAbbreviations (RWMol &mol, const std::vector< AbbreviationDefinition > &abbrevs, double maxCoverage=0.4) |
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RDKIT_ABBREVIATIONS_EXPORT void | RDKit::Abbreviations::condenseAbbreviationSubstanceGroups (RWMol &mol) |
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