def setUp(self):
self.raw_dictionary = {
"TEST_BLOCK_1": {
"_test_category_1": {
"test_value_1": 1,
"test_value_2": 2,
"test_value_3": 3,
},
"_test_category_2": { # Loop/table
"test_value_1": [1, 2, 3, 4],
"test_value_2": ["Sleepy", "Dopey", "Bashful", "Grumpy"],
"test_value_3": [
"A ->\nLINE = A",
"B ->\nLINE = B",
"C ->\nLINE = C",
"D ->\nLINE = D",
],
},
},
"TEST_BLOCK_2": {"_test_category_1": {"test_value_1": [1, 2, 3, 4]}},
}
self.cf = CifFile()
def test_write_ciffile_after_ciffile_dictionary_import(self):
# Test write CifFile initialized by dictionary
unit_test_file = "io_testcase_1.cif"
cfw = CifFileWriter()
cif_file = CifFile(os.path.join(self.FILE_ROOT, unit_test_file))
cif_file.import_mmcif_data_map(self.raw_dictionary)
cfw.write(cif_file)
cfr = CifFileReader(input="data", preserve_order=True)
test_file = cfr.read(os.path.join(self.FILE_ROOT, unit_test_file),
output="cif_wrapper")
data_block_ids = list(test_file.keys())
data_block_ids.sort()
self.assertEqual(
data_block_ids,
["TEST_BLOCK_1", "TEST_BLOCK_2"],
"Datablock(s) were not written correctly",
)
self.assertEqual(
test_file["TEST_BLOCK_1"]._test_category_2.test_value_1,
["1", "2", "3", "4"],
"mmCIF data was not written correctly",
)
def test_dictionaryImport(self):
cf = CifFile()
cf.import_mmcif_data_map(self.raw_dictionary)
self.assertIsNotNone(cf.getDataBlock("TEST_BLOCK_2"),
"CifFile failed to import dictionary")
self.assertIsInstance(
cf.getDataBlock("TEST_BLOCK_2"),
DataBlock,
"CifFile.__init__ failed to import dictionary",
)
self.assertEqual(
cf.getDataBlock("TEST_BLOCK_2").getCategory(
"_test_category_1").getItem("test_value_1").value,
[1, 2, 3, 4],
"CifFile failed to import dictionary",
)
def setUp(self):
self.cf = CifFile("test.cif", preserve_token_order=True)
self.db = DataBlock("TEST", parent=self.cf)
self.ct = Category("_foo", parent=self.db)
self.im = Item("bar", parent=self.ct)
str(self.im)
def setUp(self):
self.cf = CifFile("test.cif", preserve_token_order=True)
self.db = DataBlock("TEST", parent=self.cf)
self.sf = SaveFrame("_saveframe.test", parent=self.db)
str(self.sf)
class CifFileTestCase(unittest.TestCase):
def setUp(self):
self.raw_dictionary = {
"TEST_BLOCK_1": {
"_test_category_1": {
"test_value_1": 1,
"test_value_2": 2,
"test_value_3": 3,
},
"_test_category_2": { # Loop/table
"test_value_1": [1, 2, 3, 4],
"test_value_2": ["Sleepy", "Dopey", "Bashful", "Grumpy"],
"test_value_3": [
"A ->\nLINE = A",
"B ->\nLINE = B",
"C ->\nLINE = C",
"D ->\nLINE = D",
],
},
},
"TEST_BLOCK_2": {"_test_category_1": {"test_value_1": [1, 2, 3, 4]}},
}
self.cf = CifFile()
# def tearDown(self):
# self.foo.dispose()
# self.foo = None
def test_setDataBlock(self):
db = self.cf.setDataBlock("TEST")
self.assertIsInstance(
db, DataBlock, "CifFile.setDataBlock created an invalid object")
db2 = self.cf.setDataBlock(DataBlock("TEST", parent=self.cf))
self.assertIsInstance(
db2, DataBlock, "CifFile.setDataBlock created an invalid object")
def test_registerChild(self):
db = DataBlock("TEST", self.cf)
self.assertIsInstance(
self.cf.getDataBlock("TEST"),
DataBlock,
"CifFile.getDataBlock returned an invalid object",
)
def test_getDataBlock(self):
self.cf.setDataBlock("TEST")
self.assertIsInstance(
self.cf.getDataBlock("TEST"),
DataBlock,
"CifFile.getDataBlock returned an invalid object",
)
def test_getDataBlockIds(self):
self.cf.setDataBlock("TEST")
msg = "CifFile.getDataBlockIds returned incorrect list of DataBlock IDs"
self.assertListEqual(self.cf.getDataBlockIds(), [
"TEST",
], msg)
def test_getDataBlocks(self):
db = self.cf.setDataBlock("TEST")
msg = "CifFile.getDataBlocks returned incorrect list of DataBlocks"
self.assertListEqual(self.cf.getDataBlocks(), [
db,
], msg)
def test_removeChildByString(self):
db = self.cf.setDataBlock("TEST")
msg = "CifFile.removeChild"
self.assertTrue(self.cf.removeChild("TEST"),
msg + " did not return expected True")
self.assertListEqual(self.cf.getDataBlocks(), [],
msg + " datablocks should be an empty list")
self.assertIsInstance(
self.cf.recycleBin.get("TEST"),
DataBlock,
msg + " recyclebin should contain a DataBlock instance",
)
self.assertEqual(
self.cf.recycleBin.get("TEST"),
db,
msg + " recyclebin should contain the datablock instance",
)
def test_removeChildByObj(self):
db = self.cf.setDataBlock("TEST")
msg = "CifFile.removeChild"
self.assertTrue(self.cf.removeChild(db),
msg + " did not return expected True")
self.assertListEqual(self.cf.getDataBlocks(), [],
msg + " datablocks should be an empty list")
self.assertIsInstance(
self.cf.recycleBin.get("TEST"),
DataBlock,
msg + " recyclebin should contain a DataBlock instance",
)
self.assertEqual(
self.cf.recycleBin.get("TEST"),
db,
msg + " recyclebin should contain the datablock instance",
)
def test_removeChildBadRef(self):
self.cf.setDataBlock("TEST")
msg = "CifFile.removeChild"
self.assertFalse(self.cf.removeChild("FAIL"),
msg + " did not return expected False")
def test_dictionaryImport(self):
cf = CifFile()
cf.import_mmcif_data_map(self.raw_dictionary)
self.assertIsNotNone(cf.getDataBlock("TEST_BLOCK_2"),
"CifFile failed to import dictionary")
self.assertIsInstance(
cf.getDataBlock("TEST_BLOCK_2"),
DataBlock,
"CifFile.__init__ failed to import dictionary",
)
self.assertEqual(
cf.getDataBlock("TEST_BLOCK_2").getCategory(
"_test_category_1").getItem("test_value_1").value,
[1, 2, 3, 4],
"CifFile failed to import dictionary",
)
def test_initializeWithDictionary(self):
cf = CifFile(mmcif_data_map=self.raw_dictionary)
self.assertIsInstance(cf, CifFile,
"CifFile.__init__ failed to import dictionary")
self.assertIsNotNone(
cf.getDataBlock("TEST_BLOCK_2"),
"CifFile.__init__ failed to import dictionary",
)
self.assertEqual(
cf.getDataBlock("TEST_BLOCK_2").getCategory(
"_test_category_1").getItem("test_value_1").value,
[1, 2, 3, 4],
"CifFile.__init__ failed to import dictionary",
)
cf = CifFile(mmcif_data_map={})
def setUp(self):
self.cf = CifFile("test.cif", preserve_token_order=True)
self.db = DataBlock("TEST", parent=self.cf)
str(self.db)