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# -*- coding: utf-8 -*-
#
# Copyright (c) 2019, the cclib development team
#
# This file is part of cclib (http://cclib.github.io) and is distributed under
# the terms of the BSD 3-Clause License.
"""Unit tests for main scripts (ccget, ccwrite)."""
from __future__ import print_function
import os
import sys
import unittest
import six
from six import add_move, MovedModule
add_move(MovedModule('mock', 'mock', 'unittest.mock'))
from six.moves import mock
import cclib
__filedir__ = os.path.dirname(__file__)
__filepath__ = os.path.realpath(__filedir__)
__datadir__ = os.path.join(__filepath__, "..", "..", "data")
INPUT_FILE = os.path.join(
__datadir__,
'ADF/basicADF2007.01/dvb_gopt.adfout'
)
CJSON_OUTPUT_FILENAME = 'dvb_gopt.cjson'
@mock.patch("cclib.scripts.ccget.ccread")
class ccgetTest(unittest.TestCase):
def setUp(self):
try:
from cclib.scripts import ccget
except ImportError:
self.fail("ccget cannot be imported")
self.main = ccget.ccget
@mock.patch("cclib.scripts.ccget.sys.argv", ["ccget"])
def test_empty_argv(self, mock_ccread):
"""Does the script fail as expected if called without parameters?"""
with self.assertRaises(SystemExit):
self.main()
@mock.patch(
"cclib.scripts.ccget.sys.argv",
["ccget", "atomcoords", INPUT_FILE]
)
def test_ccread_invocation(self, mock_ccread):
self.main()
self.assertEqual(mock_ccread.call_count, 1)
ccread_call_args, ccread_call_kwargs = mock_ccread.call_args
self.assertEqual(ccread_call_args[0], INPUT_FILE)
@mock.patch("cclib.scripts.ccwrite.ccwrite")
class ccwriteTest(unittest.TestCase):
def setUp(self):
try:
from cclib.scripts import ccwrite
except ImportError:
self.fail("ccwrite cannot be imported")
self.main = ccwrite.main
@mock.patch('cclib.scripts.ccwrite.sys.argv', ['ccwrite'])
def test_empty_argv(self, mock_ccwrite):
"""Does the script fail as expected if called without parameters?"""
with self.assertRaises(SystemExit):
self.main()
@mock.patch(
"cclib.scripts.ccwrite.sys.argv",
["ccwrite", "cjson", INPUT_FILE]
)
def test_ccwrite_call(self, mock_ccwrite):
"""is ccwrite called with the given parameters?"""
self.main()
self.assertEqual(mock_ccwrite.call_count, 1)
ccwrite_call_args, ccwrite_call_kwargs = mock_ccwrite.call_args
self.assertEqual(ccwrite_call_args[1], 'cjson')
self.assertEqual(ccwrite_call_args[2], CJSON_OUTPUT_FILENAME)
class ccframeTest(unittest.TestCase):
def setUp(self):
# It would be best to test with Pandas and not a mock!
if not hasattr(cclib.io.ccio, "pd"):
cclib.io.ccio.pd = mock.MagicMock()
@unittest.skip("Broken test")
def test_main_empty_argv(self):
"""Does main() fail as expected if called without arguments?"""
with self.assertRaises(SystemExit):
cclib.scripts.ccframe.main()
@mock.patch(
"cclib.scripts.ccframe.sys.argv",
["ccframe", INPUT_FILE]
)
@mock.patch("cclib.io.ccio._has_pandas", False)
def test_main_without_pandas(self):
"""Does ccframe fail if Pandas can't be imported?"""
with six.assertRaisesRegex(
self, ImportError, "You must install `pandas` to use this function"
):
cclib.scripts.ccframe.main()
@mock.patch(
"cclib.scripts.ccframe.sys.argv",
["ccframe", INPUT_FILE]
)
@mock.patch("cclib.io.ccio._has_pandas", True)
def test_main(self):
"""Is ccframe called with the given parameters?"""
with mock.patch('sys.stdout') as mock_stdout:
cclib.scripts.ccframe.main()
self.assertEqual(mock_stdout.write.call_count, 2)
df, newline = mock_stdout.write.call_args_list
if isinstance(df[0][0], mock.MagicMock):
self.assertEqual(df[0][0].name, 'mock.DataFrame()')
else:
# TODO: this is what we really should be testing
pass
self.assertEqual(newline[0][0], '\n')
if __name__ == "__main__":
unittest.main()
|
