OEChem - C++ Theory Manual Version 1.3.1

Previous: 23.1.1 OEParseSmiles Up: 23.1 SMILES File Format Next: 23.2 MDL File Format

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23.1.2 OECreateCanSmiString

void MyWriteSmilesMolecule(oemolistream &ifs, OEMolBase &mol)
{
  const char *title;
  string str;

  OEFindRingAtomsAndBonds(mol);
  OEAssignAromaticFlags(mol,OEAroModelDaylight);
  OECreateCanSmiString(str,mol);
  ofs << str;
  title = mol.GetTitle();
  if (title && *title)
    ofs << " " << title;
  ofs << endl;
}

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				OEChem - C++ Theory Manual Version 1.3.1

Previous: 23.1.1 OEParseSmiles Up: 23.1 SMILES File Format Next: 23.2 MDL File Format

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Documentation released on July 30, 2004.