pac99 interfaces

pac99_io.reader

Read the output of the PAC99

pac99_io.reader.nasa_polynomial(output_str)

Parse the NASA polynomial from the PAC99 output file.

Parameters:

output_str (str) – string for the output file

Return type:

str

pac99_io.pac2ckin_poly

Convert a NASA polynomial from its format given in PAC99 input to the format used in ChemKin mechanisms.

Currently supports C,H,N,P,O,S,F,Cl,Br,I.

param name:

species name

type name:

str

param atom_dct:

number of each atom in the species

type atom_dct:

dict[str: int]

param pac99_poly_str:

PAC99-format NASA polynomial

type pac99_poly_str:

str

rtype:

str