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RDKit
Open-source cheminformatics and machine learning.
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Functions | |
| RDKIT_SMILESPARSE_EXPORT std::string | MolToSmiles (const ROMol &mol, const SmilesWriteParams ¶ms, bool doingCXSmiles) |
| RDKIT_SMILESPARSE_EXPORT std::string RDKit::SmilesWrite::detail::MolToSmiles | ( | const ROMol & | mol, |
| const SmilesWriteParams & | params, | ||
| bool | doingCXSmiles | ||
| ) |