def container_factory(self, name, primitive_cell, size, origin):
self.group = self.handle.create_group(self.handle.root, name)
return H5Lattice.create_new(self.group,
primitive_cell,
size,
origin,
record=CustomRecord)
def test_version(self):
filename = os.path.join(self.temp_dir, "test_file.cuds")
group_name = "dummy_component_name"
with tables.open_file(filename, "w") as handle:
group = handle.create_group(handle.root, group_name)
# given/when
H5Lattice.create_new(group, PrimitiveCell.for_cubic_lattice(0.2), size=(5, 10, 15), origin=(-2, 0, 1))
# then
self.assertTrue(isinstance(group._v_attrs.cuds_version, int))
# when
with tables.open_file(filename, "a") as handle:
handle.get_node("/{}".format(group_name))._v_attrs.cuds_version = -1
# then
with tables.open_file(filename, "a") as handle:
with self.assertRaises(ValueError):
H5Lattice(handle.get_node("/" + group_name))
def test_initialization_from_existing_lattice_in_file(self):
lattice = H5Lattice(self.group)
self.assertEqual(lattice.name, 'my_name')
self.assertEqual(lattice.primitive_cell.bravais_lattice,
BravaisLattice.CUBIC)
assert_array_almost_equal(lattice.primitive_cell.p1,
self.primitive_cell.p1)
assert_array_almost_equal(lattice.primitive_cell.p2,
self.primitive_cell.p2)
assert_array_almost_equal(lattice.primitive_cell.p3,
self.primitive_cell.p3)
self.assertItemsEqual(lattice.size, self.size)
assert_array_equal(lattice.origin, self.origin)
def test_version(self):
filename = os.path.join(self.temp_dir, 'test_file.cuds')
group_name = "dummy_component_name"
with tables.open_file(filename, 'w') as handle:
group = handle.create_group(handle.root, group_name)
# given/when
H5Lattice.create_new(group,
PrimitiveCell.for_cubic_lattice(0.2),
size=(5, 10, 15),
origin=(-2, 0, 1))
# then
self.assertTrue(isinstance(group._v_attrs.cuds_version, int))
# when
with tables.open_file(filename, 'a') as handle:
handle.get_node(
"/{}".format(group_name))._v_attrs.cuds_version = -1
# then
with tables.open_file(filename, 'a') as handle:
with self.assertRaises(ValueError):
H5Lattice(handle.get_node("/" + group_name))
def _add_lattice(self, lattice):
"""Add lattice to the file.
Parameters
----------
lattice : Lattice
lattice to be added
Returns
----------
H5Lattice
The lattice newly added to the file.
"""
name = lattice.name
lattice_root = self._root.lattice
group = tables.Group(lattice_root, name=name, new=True)
h5_lattice = H5Lattice.create_new(
group, lattice.primitive_cell, lattice.size, lattice.origin)
h5_lattice.data = lattice.data
h5_lattice.update_nodes(lattice.iter_nodes())
def container_factory(self, name, primitive_cell, size, origin):
self.group = self.handle.create_group(self.handle.root, name)
return H5Lattice.create_new(self.group, primitive_cell, size, origin)
