with open(args["input"], 'w') as f:
json.dump(json_data, f)
if args["output"] != "stdout":
os.unlink(args["output"])
sys.exit()
# Read input
with open(args["input"]) as f:
content = f.read()
# Preprocess
if not args["skip_preprocessor"]:
# PSI_SCRATCH must be set before this call!
content = psi4.process_input(content)
# Handle Verbose
if args["verbose"]:
psi4.core.print_out('\nParsed Psithon:')
psi4.core.print_out(content)
psi4.core.print_out('-' * 75)
# Handle Messy
_clean_functions = [psi4.core.clean, psi4.extras.clean_numpy_files]
if args["messy"]:
if sys.version_info >= (3, 0):
for func in _clean_functions:
atexit.unregister(func)
else:
psi4.print_header()
# Read input
with open(args["input"]) as f:
content = f.read()
if args["scratch"] is not None:
if not os.path.isdir(args["scratch"]):
raise Exception("Passed in scratch is not a directory (%s)." %
args["scratch"])
psi4.core.set_environment("PSI_SCRATCH", args["scratch"])
# Preprocess
if not args["skip_preprocessor"]:
# PSI_SCRATCH must be set before this call!
content = psi4.process_input(content)
# Handle Verbose
if args["verbose"]:
psi4.core.print_out('\nParsed Psithon:')
psi4.core.print_out(content)
psi4.core.print_out('-' * 75)
# Handle Messy
if args["messy"]:
import atexit
for handler in atexit._exithandlers:
if handler[0] == psi4.core.clean:
atexit._exithandlers.remove(handler)
