chemcoord.Cartesian.to_xyz¶
-
Cartesian.
to_xyz
(buf=None, sort_index=True, index=False, header=False, float_format=<built-in method format of str object>, overwrite=True)¶ Write xyz-file
Parameters: - buf (str, path object or file-like object) – File path or object, if None is provided the result is returned as a string.
- sort_index (bool) – If sort_index is true, the
Cartesian
is sorted by the index before writing. - 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.
- overwrite (bool) – May overwrite existing files.
Returns: string (or unicode, depending on data and options)
Return type: formatted