def testValidGromacsVersionsAccepted(self): for opt in _SUPPORTED_GMX_VERSIONS: checkArgs( parseArgs([ "generate", "--gmx_version", opt, "--cpu_ids", 0, "--gpu_ids", 0, "--run_file", "test.sh" ]))
def gromax(): logger: logging.Logger = logging.getLogger("gromax") parsed_args: argparse.Namespace = parseArgs(sys.argv[1:]) _setLoggingLevel(logger, parsed_args.log_level) checkArgs(parsed_args) logger.info("Executing gromax.") workflow: Callable[[argparse.Namespace], None] = _selectWorkflow(parsed_args) workflow(parsed_args) sys.exit(0)
def testInvalidGromacsVersionCaught(self): args = ["generate", "--gmx_version", "2015"] with self.assertRaises(SystemExit): checkArgs(parseArgs(args))
def testBothGpuOptionsSelected(self): self.args.extend( ["--cpu_ids", "0", "--gpu_ids", "0", "--num_gpus", "4"]) with self.assertRaises(SystemExit) as sysexit: checkArgs(parseArgs(self.args)) self.assertGreater(sysexit.exception.code, 0)
def testNeitherGpuOptionSelected(self): self.args.extend(["--cpu_ids", "0"]) with self.assertRaises(SystemExit) as sysexit: checkArgs(parseArgs(self.args)) self.assertGreater(sysexit.exception.code, 0)
def testInvalidModeCaught(self): with self.assertRaises(SystemExit) as sysexit: checkArgs(parseArgs(["some_command"])) self.assertGreater(sysexit.exception.code, 0)