pmutt.io.thermdat.write_thermdat

pmutt.io.thermdat.write_thermdat(nasa_species, filename=None, write_date=True, supp_data=None, supp_txt=None, newline='\n')

Writes thermdats in the Chemkin format

Parameters:

  • nasa_species (list or dict of Nasa) – List of species to populate thermdat

  • filename (str, optional) – Output file name. If not specified, returns thermdat as str

  • supp_data (str, optional) – Additional thermdat entries to include. Must be in therndat format.

  • supp_txt (str, optional) – Comment field to preceed nasa_species entries. Each line needs to begin with a ! so it is recognized as a comment.

  • write_date (bool, optional) – Whether or not the date should be written. If False, writes the first 8 characters of notes attribute. Defaults to True

  • newline (str, optional) – Newline character to use. Default is the Unix convention (n)

Returns:

lines_out – Thermdat lines as a string if filename is None

Return type:

str