def setUp(self):
self.listener = ConcentrationPrinter()
folder = os.path.join(os.path.dirname(rmgpy.__file__),'solver/files/listener/')
inputFile = os.path.join(folder, 'input.py')
chemkinFile = os.path.join(folder, 'chemkin/chem.inp')
spc_dict = os.path.join(folder, 'chemkin/species_dictionary.txt')
self.rmg = loadRMGPyJob(inputFile, chemkinFile, spc_dict, generateImages=False, checkDuplicates=False)
def load(rmgInputFile, reductionFile, chemkinFile, speciesDict):
rmg = loadRMGPyJob(rmgInputFile,
chemkinFile,
speciesDict,
generateImages=False,
useChemkinNames=True)
targets, tolerance = loadReductionInput(reductionFile)
return rmg, targets, tolerance
def load(rmgInputFile, reductionFile, chemkinFile, speciesDict):
rmg = loadRMGPyJob(rmgInputFile, chemkinFile, speciesDict, generateImages=False, useChemkinNames=True)
targets, tolerance = loadReductionInput(reductionFile)
return rmg, targets, tolerance
