OEChem - Python Theory Manual Version 1.3.1

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22.1.1 OEParseSmiles

def MyReadSmilesMolecule(pyfile, mol):
    mol.Clear()
    for line in pyfile.xreadlines():
        if OEParseSmiles(mol, line):
            OEFindRingAtomAndBonds(mol)
            OEAssignAromaticFlags(mol)
            return 1
    mol.Clear()
    return 0

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				OEChem - Python Theory Manual Version 1.3.1

Previous: 22.1 SMILES File Format Up: 22.1 SMILES File Format Next: 22.1.2 OECreateCanSmiString

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Documentation released on July 30, 2004.