args = vars(argParser.parse_args()) if args['version']: print("{}".format(version[1:])) sys.exit(0) # Checking if multiple fragmentation specifications where given if args['fragSize'] != (-1) and (args['fragments'] != "" or args['detailedFrag']): msg = "Please do not specify fragments manually when using the --fragSize option." printError(msg) if args['fragments'] and args['detailedFrag']: msg = "Please only use one of --fragments or --detailedFrag, not both" printError(msg) o.calcHydr = path.abspath(args['exe']) o.REMOPath = path.abspath(args['REMOdir']) o.runDir = os.getcwd() # Generate temprary directory if args['inData'] == "": checkPathExists(args['tmpDir']) o.tmpPath = tempfile.mkdtemp(dir=path.abspath(args['tmpDir']), prefix="HYCUD_") else: o.tmpPath = cwd if not path.isdir(o.tmpPath): msg = "{} is not a valid directory".format(o.tmpPath) printError(msg) if args['fragments'] == "" and args['detailedFrag'] == "" and args['fragSize'] == (-1): fragSize = default_fragmentSize