aiida.backends.tests.orm.data package

Submodules

Tests for the Data base class.

class aiida.backends.tests.orm.data.test_data.TestData(methodName='runTest')

Bases: aiida.backends.testbase.AiidaTestCase

Test for the Data base class.

__module__ = 'aiida.backends.tests.orm.data.test_data'

static generate_class_instance(data_class)

Generate a dummy Data instance for the given sub class.

test_data_exporters()

Verify that the return value of the export methods of all Data sub classes have the correct type.

It should be a tuple where the first should be a byte string and the second a dictionary.

Tests for the Dict class.

class aiida.backends.tests.orm.data.test_dict.TestDict(methodName='runTest')

Bases: aiida.backends.testbase.AiidaTestCase

Test for the Dict class.

__module__ = 'aiida.backends.tests.orm.data.test_dict'

classmethod setUpClass(*args, **kwargs)

Hook method for setting up class fixture before running tests in the class.

test_dict_property()

Test the dict property.

test_get_dict()

Test the get_dict method.

test_get_item()

Test the __getitem__ method.

test_keys()

Test the keys method.

Tests for the FolderData class.

class aiida.backends.tests.orm.data.test_folder.TestFolderData(methodName='runTest')

Bases: aiida.backends.testbase.AiidaTestCase

Test for the FolderData class.

__module__ = 'aiida.backends.tests.orm.data.test_folder'

classmethod setUpClass(*args, **kwargs)

Hook method for setting up class fixture before running tests in the class.

classmethod tearDownClass(*args, **kwargs)

Hook method for deconstructing the class fixture after running all tests in the class.

test_constructor_tree()

Test the tree constructor keyword.

Tests for the KpointsData class.

class aiida.backends.tests.orm.data.test_kpoints.TestKpoints(methodName='runTest')

Bases: aiida.backends.testbase.AiidaTestCase

Test for the Kpointsdata class.

__module__ = 'aiida.backends.tests.orm.data.test_kpoints'

classmethod setUpClass(*args, **kwargs)

Hook method for setting up class fixture before running tests in the class.

test_get_kpoints()

Test the get_kpoints method.

test_reciprocal_cell()

Test the reciprocal_cell method.

This is a regression test for #2749.

Tests for the OrbitalData class.

class aiida.backends.tests.orm.data.test_orbital.TestOrbitalData(methodName='runTest')

Bases: aiida.backends.testbase.AiidaTestCase

Test for the OrbitalData class.

__module__ = 'aiida.backends.tests.orm.data.test_orbital'

classmethod setUpClass(*args, **kwargs)

Hook method for setting up class fixture before running tests in the class.

test_real_hydrogen()

Tests storage of the RealHydrogen oribtal

class aiida.backends.tests.orm.data.test_remote.TestRemoteData(methodName='runTest')

Bases: aiida.backends.testbase.AiidaTestCase

Test for the RemoteData class.

__module__ = 'aiida.backends.tests.orm.data.test_remote'

setUp()

Create a dummy RemoteData on the default computer.

classmethod setUpClass()

Hook method for setting up class fixture before running tests in the class.

tearDown()

Delete the temporary path for the dummy RemoteData node.

test_clean()

Try cleaning a RemoteData node.

Tests for the SinglefileData class.

class aiida.backends.tests.orm.data.test_singlefile.TestSinglefileData(methodName='runTest')

Bases: aiida.backends.testbase.AiidaTestCase

Tests for the SinglefileData class.

__module__ = 'aiida.backends.tests.orm.data.test_singlefile'

test_binary_file()

Test that the constructor accepts binary files.

test_construct_from_filelike()

Test constructing an instance from filelike instead of filepath.

test_construct_from_string()

Test constructing an instance from a string.

test_reload_singlefile_data()

Test writing and reloading a SinglefileData instance.

This module contains tests for the to_aiida_type serializer

class aiida.backends.tests.orm.data.test_to_aiida_type.TestToAiiDAType(methodName='runTest')

Bases: aiida.backends.testbase.AiidaTestCase

Test the to_aiida_type serialize that converts python objects to AiiDA nodes

__module__ = 'aiida.backends.tests.orm.data.test_to_aiida_type'

test_bool()

Test converting bool to Bool

test_dict()

Test converting dict to Dict

test_flot()

Test converting float to Float

test_int()

Test integer

test_str()

Test converting string to Str

This module contains tests for UpfData and UpfData related functions.

class aiida.backends.tests.orm.data.test_upf.TestUpfParser(methodName='runTest')

Bases: aiida.backends.testbase.AiidaTestCase

Tests UPF version / element_name parser function.

__module__ = 'aiida.backends.tests.orm.data.test_upf'

setUp()

Setup a temporary directory to store UPF files.

classmethod setUpClass(*args, **kwargs)

Hook method for setting up class fixture before running tests in the class.

tearDown()

Delete all groups and destroy the temporary directory created.

test_additional_header_line()

Regression #2228: check if parsing succeeds if additional header line is present.

test_check_filename()

Test built-in check for if file name matches element

test_get_upf_family_names()

Test the UpfData.get_upf_family_names method.

test_get_upf_groups()

Test the UpfData.get_upf_groups class method.

test_invalid_element_upf_v1()

Test parsers exception on invalid element name in UPF v1.

test_invalid_element_upf_v2()

Test parsers exception on invalid element name in UPF v2.

test_missing_element_upf_v1()

Test parsers exception on missing element name in UPF v1.

test_missing_element_upf_v2()

Test parsers exception on missing element name in UPF v2.

test_upf1_to_json_carbon()

Test UPF check Oxygen UPF1 pp conversion

test_upf2_to_json_barium()

Test UPF check Bariium UPF1 pp conversion

test_upf_version_one()

Check if parsing for regular UPF file (version 1) succeeds.

test_upf_version_two()

Check if parsing for regular UPF file (version 2) succeeds.

aiida.backends.tests.orm.data.test_upf.compare_dicts(dd1, dd2)

Compare two dictionaries taking into account rounding errors.

aiida.backends.tests.orm.data.test_upf.isnumeric(vector)

Check if elements of iterable x are numbers.