Exemplo n.º 1
0
def ctab2inchi():
    """
Converts CTAB to InChis. CTAB is either single molfile or SDF file.
    """

    data=request.body.read()
    return _ctab2inchi(data)
Exemplo n.º 2
0
def ctab2inchi():
    """
Converts CTAB to InChis. CTAB is either single molfile or SDF file.
    """

    data = request.body.read()
    return _ctab2inchi(data)
Exemplo n.º 3
0
def ctab2inchi(ctab):
    """
Converts CTAB to InChis. CTAB is urlsafe_base64 encoded string containing single molfile or concatenation
of multiple molfiles.
    """

    data = base64.urlsafe_b64decode(ctab)
    return _ctab2inchi(data)
Exemplo n.º 4
0
def ctab2inchi(ctab):
    """
Converts CTAB to InChis. CTAB is urlsafe_base64 encoded string containing single molfile or concatenation
of multiple molfiles.
    """

    data = base64.urlsafe_b64decode(ctab)
    return _ctab2inchi(data)
Exemplo n.º 5
0
def ctab2inchiView(data, params):
    kwargs = dict()
    kwargs['sanitize'] = _parseFlag(params.get('sanitize', True))
    kwargs['removeHs'] = _parseFlag(params.get('removeHs', True))
    kwargs['strictParsing'] = _parseFlag(params.get('strictParsing', True))
    return _ctab2inchi(data, **kwargs)
Exemplo n.º 6
0
def ctab2inchiView(data, params):
    kwargs = dict()
    kwargs['sanitize'] = _parseFlag(params.get('sanitize', True))
    kwargs['removeHs'] = _parseFlag(params.get('removeHs', True))
    kwargs['strictParsing'] = _parseFlag(params.get('strictParsing', True))
    return _ctab2inchi(data, **kwargs)