def test_get_or_create(get_basis_data):
"""Test the ``BasisData.get_or_create`` classmethod."""
pao = get_basis_data(entry_point='pao')
stream = io.BytesIO(pao.get_content().encode('utf-8'))
original = BasisData.get_or_create(stream)
original.element = pao.element
assert isinstance(original, BasisData)
assert not original.is_stored
# Need to store it so it can actually be loaded from it by the ``get_or_create`` method
original.store()
# Return the stream to initial state and call again, which should return the same node.
stream.seek(0)
duplicate = BasisData.get_or_create(stream)
assert isinstance(duplicate, BasisData)
assert duplicate.is_stored
assert duplicate.uuid == original.uuid
# If the content is different, we should get a different node.
stream.seek(0)
different_content = BasisData.get_or_create(io.BytesIO(b'different'))
different_content.element = pao.element
assert isinstance(different_content, BasisData)
assert not different_content.is_stored
assert different_content.uuid != original.uuid
# If the class is different, even if it is a subclass, we should get a different node even if content is identical
stream.seek(0)
different_class = PaoData.get_or_create(stream)
assert isinstance(different_class, BasisData)
assert not different_class.is_stored
assert different_class.uuid != original.uuid
def test_store_indirect():
"""Test the `BasisData.store` method when called indirectly because its is an input."""
basis = BasisData(io.BytesIO(b'basis'))
basis.element = 'Ar'
node = CalcJobNode()
node.add_incoming(basis, link_type=LinkType.INPUT_CALC, link_label='basis')
node.store_all()
def test_constructor():
"""Test the constructor."""
stream = io.BytesIO(b'basis')
basis = BasisData(stream)
assert isinstance(basis, BasisData)
assert not basis.is_stored
def test_element():
"""Test the `BasisData.element` property."""
element = 'Ar'
basis = BasisData(io.BytesIO(b'basis'))
assert basis.element is None
element = 'He'
basis.element = element
assert basis.element == element
with pytest.raises(ValueError, match=r'.* is not a valid element'):
basis.element = 'Aa'
basis.store()
with pytest.raises(
ModificationNotAllowed,
match='the attributes of a stored entity are immutable'):
basis.element = element
def test_md5():
"""Test the `BasisData.md5` property."""
stream = io.BytesIO(b'basis')
md5 = md5_from_filelike(stream)
stream.seek(0)
basis = BasisData(stream)
basis.element = 'Ar'
assert basis.md5 == md5
with pytest.raises(ValueError,
match=r'md5 does not match that of stored file.*'):
basis.md5 = 'abcdef0123456789'
basis.store()
with pytest.raises(
ModificationNotAllowed,
match='the attributes of a stored entity are immutable'):
basis.md5 = md5
def test_store():
"""Test the `BasisData.store` method."""
stream = io.BytesIO(b'basis')
md5_correct = md5_from_filelike(stream)
md5_incorrect = 'abcdef0123456789'
stream.seek(0)
basis = BasisData(io.BytesIO(b'basis'))
with pytest.raises(StoringNotAllowed,
match='no valid element has been defined.'):
basis.store()
basis.element = 'Ar'
basis.set_attribute(BasisData._key_md5, md5_incorrect) # pylint: disable=protected-access
with pytest.raises(StoringNotAllowed,
match=r'md5 does not match that of stored file:'):
basis.store()
basis.md5 = md5_correct
result = basis.store()
assert result is basis
assert basis.is_stored
def test_constructor_invalid():
"""Test the constructor for invalid arguments."""
with pytest.raises(TypeError,
match='missing 1 required positional argument'):
BasisData() # pylint: disable=no-value-for-parameter