import json, CoolProp.CoolProp as CP with open('Bell2016Fluids.txt', 'r') as fp: lines = fp.readlines() name2CAS = {} for line in lines: Name, longname, CAS, N = line.strip().split(' ') name2CAS[Name] = CAS with open('Bell2016Coefficients.txt', 'r') as fp: lines = fp.readlines() with open('mixture_binary_pairs.json', 'r') as fp: jj = json.load(fp) CAS_pairs = [] for pair in jj: CAS_pairs.append((pair['CAS1'], pair['CAS2'])) for line in lines: Name1, Name2, betaT, gammaT, MARE, N = line.strip().split(' ') CAS1 = name2CAS[Name1] CAS2 = name2CAS[Name2] if ((CAS1, CAS2)) not in CAS_pairs and ((CAS2, CAS1)) not in CAS_pairs: entry = { "BibTeX": "Bell-JCED-2016", "CAS1": CAS1, "CAS2": CAS2, "F": 0.0, "Name1": Name1, "Name2": Name2, "betaT": float(betaT), "gammaT": float(gammaT), "betaV": 1.0, "gammaV": 1.0 } jj.append(entry) else: print('Skipping %s %s' % (Name1, Name2)) with open('mixture_binary_pairs.json', 'w') as fp: json.dump(jj, fp, indent=2, sort_keys=True)