chemcoord.Cartesian.to_cjson

Cartesian.to_cjson(buf=None, **kwargs)

Write a cjson file or return dictionary.

The cjson format is specified here.

Parameters:
  • buf (str) – If it is a filepath, the data is written to filepath. If it is None, a dictionary with the cjson information is returned.
  • kwargs – The keyword arguments are passed into the dump function of the json library.
Returns:
Return type:

dict