assert data[0].lower() == 'singleexpdown' assert data[1] == 'J/mol' network.collisionModel = SingleExponentialDownModel(alpha0=float(data[2]), T0=298, n=0.0) # Read bath gas parameters bathGas = Species() bathGas.molecularWeight = float(readMeaningfulLine(f).split()[1]) / 1000.0 bathGas.lennardJones = LennardJones(sigma=float(readMeaningfulLine(f).split()[1]), epsilon=float(readMeaningfulLine(f).split()[1])) # Read species data Nspec = int(readMeaningfulLine(f)) speciesDict = {} for i in range(Nspec): spec = Species() # Read species label spec.label = readMeaningfulLine(f) speciesDict[spec.label] = spec if spec.label in moleculeDict: spec.molecule = [moleculeDict[spec.label]] # Read species E0 data = readMeaningfulLine(f).split() assert data[0] == 'J/mol' spec.E0 = float(data[1]) # Read and ignore species thermo data for j in range(10): data = readMeaningfulLine(f) # Read species collision parameters spec.molecularWeight = float(readMeaningfulLine(f).split()[1]) / 1000.0 spec.lennardJones = LennardJones(sigma=float(readMeaningfulLine(f).split()[1]), epsilon=float(readMeaningfulLine(f).split()[1])) # Read species frequencies spec.states = StatesModel()