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RDKIT_SMILESPARSE_EXPORT std::unique_ptr< RDKit::RWMol > | RDKit::v2::SmilesParse::MolFromSmiles (const std::string &smi, const SmilesParserParams ¶ms=SmilesParserParams()) |
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RDKIT_SMILESPARSE_EXPORT std::unique_ptr< RDKit::RWMol > | RDKit::v2::SmilesParse::MolFromSmarts (const std::string &sma, const SmartsParserParams ¶ms=SmartsParserParams()) |
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RDKIT_SMILESPARSE_EXPORT std::unique_ptr< RDKit::Atom > | RDKit::v2::SmilesParse::AtomFromSmiles (const std::string &smi) |
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RDKIT_SMILESPARSE_EXPORT std::unique_ptr< RDKit::Bond > | RDKit::v2::SmilesParse::BondFromSmiles (const std::string &smi) |
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RDKIT_SMILESPARSE_EXPORT std::unique_ptr< RDKit::Atom > | RDKit::v2::SmilesParse::AtomFromSmarts (const std::string &sma) |
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RDKIT_SMILESPARSE_EXPORT std::unique_ptr< RDKit::Bond > | RDKit::v2::SmilesParse::BondFromSmarts (const std::string &sma) |
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RDKit::RWMol * | RDKit::v1::SmilesToMol (const std::string &smi, const SmilesParserParams &ps) |
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Atom * | RDKit::v1::SmilesToAtom (const std::string &smi) |
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Bond * | RDKit::v1::SmilesToBond (const std::string &smi) |
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RWMol * | RDKit::v1::SmilesToMol (const std::string &smi, int debugParse=0, bool sanitize=true, std::map< std::string, std::string > *replacements=nullptr) |
| Construct a molecule from a SMILES string.
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RWMol * | RDKit::v1::SmartsToMol (const std::string &sma, const SmartsParserParams &ps) |
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RWMol * | RDKit::v1::SmartsToMol (const std::string &sma, int debugParse=0, bool mergeHs=false, std::map< std::string, std::string > *replacements=nullptr) |
| Construct a molecule from a SMARTS string.
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Atom * | RDKit::v1::SmartsToAtom (const std::string &sma) |
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Bond * | RDKit::v1::SmartsToBond (const std::string &sma) |
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std::unique_ptr< RDKit::RWMol > | RDKit::operator""_smiles (const char *text, size_t len) |
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std::unique_ptr< RDKit::RWMol > | RDKit::operator""_smarts (const char *text, size_t len) |
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