Write a list of Cartesians into a molden file.

    .. note:: Since it permamently writes a file, this function
        is strictly speaking **not sideeffect free**.
        The list to be written is of course not changed.

    Args:
        cartesian_list (list):
        buf (str): StringIO-like, optional buffer to write to
        sort_index (bool): If sort_index is true, the Cartesian
            is sorted by the index before writing.
        overwrite (bool): May overwrite existing files.
        float_format (one-parameter function): Formatter function
            to apply to column’s elements if they are floats.
            The result of this function must be a unicode string.

    Returns:
        formatted : string (or unicode, depending on data and options)

def to_molden(cartesian_list, buf=None, sort_index=True,
              overwrite=True, float_format='{:.6f}'.format):
    """Write a list of Cartesians into a molden file.

    .. note:: Since it permamently writes a file, this function
        is strictly speaking **not sideeffect free**.
        The list to be written is of course not changed.

    Args:
        cartesian_list (list):
        buf (str): StringIO-like, optional buffer to write to
        sort_index (bool): If sort_index is true, the Cartesian
            is sorted by the index before writing.
        overwrite (bool): May overwrite existing files.
        float_format (one-parameter function): Formatter function
            to apply to column’s elements if they are floats.
            The result of this function must be a unicode string.

    Returns:
        formatted : string (or unicode, depending on data and options)
    """
    if sort_index:
        cartesian_list = [molecule.sort_index() for molecule in cartesian_list]

    give_header = ("[MOLDEN FORMAT]\n"
                   + "[N_GEO]\n"
                   + str(len(cartesian_list)) + "\n"
                   + '[GEOCONV]\n'
                   + 'energy\n{energy}'
                   + 'max-force\n{max_force}'
                   + 'rms-force\n{rms_force}'
                   + '[GEOMETRIES] (XYZ)\n').format

    values = len(cartesian_list) * '1\n'
    energy = [str(m.metadata.get('energy', 1)) for m in cartesian_list]
    energy = '\n'.join(energy) + '\n'

    header = give_header(energy=energy, max_force=values, rms_force=values)

    coordinates = [x.to_xyz(sort_index=sort_index, float_format=float_format)
                   for x in cartesian_list]
    output = header + '\n'.join(coordinates)

    if buf is not None:
        if overwrite:
            with open(buf, mode='w') as f:
                f.write(output)
        else:
            with open(buf, mode='x') as f:
                f.write(output)
    else:
        return output