RDKit
Open-source cheminformatics and machine learning.
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RDKit::SmilesWrite::detail Namespace Reference

Functions

RDKIT_SMILESPARSE_EXPORT std::string MolToSmiles (const ROMol &mol, const SmilesWriteParams &params, bool doingCXSmiles, bool includeStereoGroups=true)
 

Function Documentation

◆ MolToSmiles()

RDKIT_SMILESPARSE_EXPORT std::string RDKit::SmilesWrite::detail::MolToSmiles ( const ROMol mol,
const SmilesWriteParams params,
bool  doingCXSmiles,
bool  includeStereoGroups = true 
)