def _canonicalize_smiles(data, computeCoords=False, in_delimiter=' ', smilesColumn=0, nameColumn=1, titleLine=True, sanitize=True, out_delimiter=' ', nameHeader='Name', includeHeader=True, isomericSmiles=False, kekuleSmiles=False): return _getSMILESString(_parseSMILESData(data, computeCoords=computeCoords, delimiter=in_delimiter, smilesColumn=smilesColumn, nameColumn=nameColumn, titleLine=titleLine, sanitize=sanitize), delimiter=out_delimiter, nameHeader=nameHeader, includeHeader=includeHeader, isomericSmiles=isomericSmiles, kekuleSmiles=kekuleSmiles)
def _ctab2smiles(data, sanitize=True, removeHs=True, strictParsing=True, delimiter=' ', nameHeader='Name', includeHeader=True, isomericSmiles=False, kekuleSmiles=False): return _getSMILESString(_parseMolData(data, sanitize=sanitize, removeHs=removeHs, strictParsing=strictParsing), delimiter=delimiter, nameHeader=nameHeader, includeHeader=includeHeader, isomericSmiles=isomericSmiles, kekuleSmiles=kekuleSmiles)
def _ctab2smiles(data): return _getSMILESString(_parseMolData(data))
def _canonicalize_smiles(data): return _getSMILESString(_parseSMILESData(data))