Python testの例

コード例 #1

ファイル: run_psi4.py プロジェクト: dsirianni/psi4

    # This call does not return.
    psi4.plugin.create_plugin(args['plugin_name'], args['plugin_template'])

    sys.exit()

if args["test"] is not None:
    if args["test"] not in ['smoke', 'quick', 'full', 'long']:
        raise KeyError("The test category {} does not exist.".format(args["test"]))

    nthread = int(args["nthread"])
    if nthread == 1:
        extras = None
    else:
        extras = ['-n', str(nthread)]
    retcode = psi4.test(args["test"], extras=extras)
    sys.exit(retcode)

if not os.path.isfile(args["input"]):
    raise KeyError("The file %s does not exist." % args["input"])
args["input"] = os.path.normpath(args["input"])

# Setup outfile
if args["append"] is None:
    args["append"] = False
if args["output"] != "stdout":
    psi4.core.set_output_file(args["output"], args["append"])

# Set a few options
if args["prefix"] is not None:
    psi4.core.set_psi_file_prefix(args["prefix"])

コード例 #2

ファイル: run_psi4.py プロジェクト: zachglick/psi4

    # This call does not return.
    psi4.pluginutil.create_plugin(args['plugin_name'], args['plugin_template'])

    sys.exit()

if args["test"] is not None:
    if args["test"] not in ['smoke', 'quick', 'full', 'long']:
        raise KeyError("The test category {} does not exist.".format(
            args["test"]))

    nthread = int(args["nthread"])
    if nthread == 1:
        extras = None
    else:
        extras = ['-n', str(nthread)]
    retcode = psi4.test(args["test"], extras=extras)
    sys.exit(retcode)

if not os.path.isfile(args["input"]):
    raise KeyError("The file %s does not exist." % args["input"])
args["input"] = os.path.normpath(args["input"])

# Setup scratch_messy
_clean_functions = [psi4.core.clean, psi4.extras.clean_numpy_files]

# Setup outfile
if args["append"] is None:
    args["append"] = False
if (args["output"] != "stdout") and (args["qcschema"] is False):
    psi4.core.set_output_file(args["output"], args["append"])

コード例 #3

    raise KeyError(
        "Please specify a '--plugin-name' for your plugin template!")

if args['plugin_name']:

    # Set the flag
    if not args['plugin_template']:
        args['plugin_template'] = 'basic'

    # This call does not return.
    psi4.plugin.create_plugin(args['plugin_name'], args['plugin_template'])

    sys.exit()

if args["test"]:
    psi4.test()
    sys.exit()

if not os.path.isfile(args["input"]):
    raise KeyError("The file %s does not exist." % args["input"])
args["input"] = os.path.normpath(args["input"])

# Setup outfile
if args["append"] is None:
    args["append"] = False
if args["output"] != "stdout":
    psi4.core.set_output_file(args["output"], args["append"])

# Set a few options
if args["prefix"] is not None:
    psi4.core.set_psi_file_prefix(args["prefix"])

コード例 #4

ファイル: run_psi4.py プロジェクト: wdong5/psi4

    raise KeyError(
        "Please specify a '--plugin-name' for your plugin template!")

if args['plugin_name']:

    # Set the flag
    if not args['plugin_template']:
        args['plugin_template'] = 'basic'

    # This call does not return.
    psi4.plugin.create_plugin(args['plugin_name'], args['plugin_template'])

    sys.exit()

if args["test"]:
    retcode = psi4.test('smoke')
    sys.exit(retcode)

if not os.path.isfile(args["input"]):
    raise KeyError("The file %s does not exist." % args["input"])
args["input"] = os.path.normpath(args["input"])

# Setup outfile
if args["append"] is None:
    args["append"] = False
if args["output"] != "stdout":
    psi4.core.set_output_file(args["output"], args["append"])

# Set a few options
if args["prefix"] is not None:
    psi4.core.set_psi_file_prefix(args["prefix"])

コード例 #5

ファイル: run_psi4.py プロジェクト: CDSherrill/psi4

    raise KeyError("Please specify a '--plugin-name' for your plugin template!")

if args['plugin_name']:

    # Set the flag
    if not args['plugin_template']:
        args['plugin_template'] = 'basic'

    # This call does not return.
    psi4.plugin.create_plugin(args['plugin_name'], args['plugin_template'])

    sys.exit()


if args["test"]:
    psi4.test()
    sys.exit()

if not os.path.isfile(args["input"]):
    raise KeyError("The file %s does not exist." % args["input"])
args["input"] = os.path.normpath(args["input"])

# Setup outfile
if args["append"] is None:
    args["append"] = False
if args["output"] != "stdout":
    psi4.core.set_output_file(args["output"], args["append"])

# Set a few options
if args["prefix"] is not None:
    psi4.core.set_psi_file_prefix(args["prefix"])

コード例 #6

    raise KeyError(
        "Please specify a '--plugin-name' for your plugin template!")

if args['plugin_name']:

    # Set the flag
    if not args['plugin_template']:
        args['plugin_template'] = 'basic'

    # This call does not return.
    psi4.plugin.create_plugin(args['plugin_name'], args['plugin_template'])

    sys.exit()

if args["test"]:
    psi4.test('smoke')
    sys.exit()

if not os.path.isfile(args["input"]):
    raise KeyError("The file %s does not exist." % args["input"])
args["input"] = os.path.normpath(args["input"])

# Setup outfile
if args["append"] is None:
    args["append"] = False
if args["output"] != "stdout":
    psi4.core.set_output_file(args["output"], args["append"])

# Set a few options
if args["prefix"] is not None:
    psi4.core.set_psi_file_prefix(args["prefix"])