def main():
"""
Driver function that parses command line arguments and passes them to the execute function.
"""
# Parse the command-line arguments (requires the argparse module)
args = parse_command_line_arguments()
# Initialize the logging system (resets the RMG.log file)
level = logging.INFO
if args.debug:
level = 0
elif args.verbose:
level = logging.DEBUG
elif args.quiet:
level = logging.WARNING
kwargs = {
'restart': args.restart,
'walltime': args.walltime,
'log': level,
'maxproc': args.maxproc,
'kineticsdatastore': args.kineticsdatastore
}
initialize_log(level, os.path.join(args.output_directory, 'RMG.log'))
rmg = RMG(input_file=args.file, output_directory=args.output_directory)
# Add output listeners:
rmg.attach(ChemkinWriter(args.output_directory))
rmg.attach(OutputHTMLWriter(args.output_directory))
execute(rmg, **kwargs)
def main():
# Parse the command-line arguments (requires the argparse module)
args = parse_command_line_arguments()
if args.postprocess:
logging.info(
"Postprocessing the profiler statistics (will be appended to RMG.log)"
)
else:
# Initialize the logging system (resets the RMG.log file)
level = logging.INFO
if args.debug:
level = 0
elif args.verbose:
level = logging.DEBUG
elif args.quiet:
level = logging.WARNING
initialize_log(level, os.path.join(args.output_directory, 'RMG.log'))
logging.info(rmgpy.settings.report())
kwargs = {
'restart': args.restart,
'walltime': args.walltime,
'maxproc': args.maxproc,
'kineticsdatastore': args.kineticsdatastore
}
if args.profile:
import cProfile
global_vars = {}
local_vars = {
'inputFile': args.file,
'output_dir': args.output_directory,
'kwargs': kwargs,
'RMG': RMG
}
command = """rmg = RMG(input_file=inputFile, output_directory=output_dir); rmg.execute(**kwargs)"""
stats_file = os.path.join(args.output_directory, 'RMG.profile')
print("Running under cProfile")
if not args.postprocess:
# actually run the program!
cProfile.runctx(command, global_vars, local_vars, stats_file)
# postprocess the stats
log_file = os.path.join(args.output_directory, 'RMG.log')
process_profile_stats(stats_file, log_file)
make_profile_graph(stats_file)
else:
rmg = RMG(input_file=args.file, output_directory=args.output_directory)
rmg.execute(**kwargs)
def test_parse_command_line_non_defaults(self):
"""
Test user command line inputs into rmg.py
"""
# Acquire arguments
args = parse_command_line_arguments(['other_name.py', '-d', '-o', '/test/output/dir/', '-r', 'test/seed/', '-P',
'-t', '01:20:33:45', '-k', '-i', '100'])
# Test expected values
self.assertEqual(args.walltime, '01:20:33:45')
self.assertEqual(args.output_directory, '/test/output/dir/')
self.assertEqual(args.debug, True)
self.assertEqual(args.file, 'other_name.py')
self.assertEqual(args.maxiter, 100)
self.assertEqual(args.kineticsdatastore, True)
self.assertEqual(args.postprocess, True)
self.assertEqual(args.profile, True)
self.assertEqual(args.restart, 'test/seed/')
def test_parse_command_line_arguments_defaults(self):
"""
Test the default values for the parseCommandLineArguments module
"""
# Acquire default arguments
args = parse_command_line_arguments(['input.py'])
# Test default values
self.assertEqual(args.walltime, '00:00:00:00')
self.assertEqual(args.output_directory,
os.path.abspath(os.path.dirname('./')))
self.assertEqual(args.debug, False)
self.assertEqual(args.file, 'input.py')
self.assertEqual(args.kineticsdatastore, False)
self.assertEqual(args.postprocess, False)
self.assertEqual(args.profile, False)
self.assertEqual(args.quiet, False)
self.assertEqual(args.restart, '')
self.assertEqual(args.verbose, False)