pmutt.io.chemkin.write_tube_mole

pmutt.io.chemkin.write_tube_mole(mole_frac_conditions, nasa_species, filename=None, float_format=' .3f', newline='\n', column_delimiter='  ')

Write tube_mole.inp Chemkin file

Parameters:

  • mole_frac_conditions (list of dict) – Each dictionary should have the keys as the name of the species and the value as the initial mole fraction

  • nasa_species (list of Nasa objects) – Nasa species to find phase information

  • filename (str, optional) – Name of the file. If not specified, returns file as str

  • float_format (str, optional) – Format to write floating point numbers. Default is ‘.3E’ (i.e. scientific notation rounded to 3 decimal places)

  • newline (str, optional) – Newline character. Default is the Linux newline character

  • column_delimiter (str, optional) – Delimiter for columns. Default is ‘ ‘

Returns:

lines_out – tube_mole lines as a string if filename is None

Return type:

str