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4.35 OECreateSmiString 

void OECreateSmiString(std::string &str, const OEMolBase &mol,
                       unsigned int flavor = OESMILESFlag::DEFAULT)

Create a SMILES string representing a given molecule. Several variants of SMILES format are supported by using different bits of the ``flavor'' parameter.

Previous Page Up One Level Next Page OEChem - API Manual
Version 1.3.1
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Previous: 4.34 OECreateSlnString Up: 4. OEChem Functions Next: 4.36 OEDefaultImplicitHCount
Documentation released on July 30, 2004.