def test_write_mmCIF_dictionary(self):
unit_test_file = "io_testcase_5.cif"
cfr = CifFileReader(input='dictionary')
cif_file = cfr.read(self.TEST_DIC_FILE, output='cif_file')
cfw = CifFileWriter(file_path=os.path.join(self.FILE_ROOT, unit_test_file))
cfw.write(cif_file)
test_file = cfr.read(os.path.join(self.FILE_ROOT, unit_test_file), output='cif_file')
test_value = test_file.getDataBlock('TEST')\
.getSaveFrame('some_interesting_category')\
.getCategory('category')\
.getItem('mandatory_code')\
.value
self.assertEquals(test_value, 'no', 'mmCIF dictionary file was not written correctly')
def test_write_raw_dictionary_without_block_id(self):
unit_test_file = "io_testcase_4.cif"
# Test raw dictionary (WITHOUT datablock id)
cfw = CifFileWriter(file_path=os.path.join(self.FILE_ROOT, unit_test_file))
cfw.write(self.raw_dictionary['TEST_BLOCK_1'])
del cfw
cfr = CifFileReader(input='data')
test_file = cfr.read(os.path.join(self.FILE_ROOT, unit_test_file), output='cif_wrapper')
data_block_ids = test_file.keys()
data_block_ids.sort()
self.assertEqual(data_block_ids,
[unit_test_file,],
"Datablock(s) were not written correctly")
self.assertEqual(test_file[unit_test_file]._test_category_2.test_value_1,
['1', '2', '3', '4'],
"mmCIF data was not written correctly")
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')
test_file = cfr.read(os.path.join(self.FILE_ROOT, unit_test_file), output='cif_wrapper')
data_block_ids = 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_write_ciffile_after_cifwrapper_dictionary_import(self):
# Test write CifFile initialized by CIFWrapper and dictionary import
unit_test_file = "io_testcase_2.cif"
cfw = CifFileWriter(file_path=os.path.join(self.FILE_ROOT, unit_test_file))
cif_obj = dict((k, CIFWrapper(v)) for k, v in self.raw_dictionary.items())
cif_wrapper = CIFWrapper({'TEST_BLOCK_1': self.raw_dictionary['TEST_BLOCK_1']})
cfw.write(cif_wrapper)
cif_wrapper = CIFWrapper({'TEST_BLOCK_2': self.raw_dictionary['TEST_BLOCK_2']})
cfw.write(cif_wrapper)
del cfw
cfr = CifFileReader(input='data')
test_file = cfr.read(os.path.join(self.FILE_ROOT, unit_test_file), output='cif_wrapper')
data_block_ids = 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")
