def test_partial_migrations(self, core_archive, tmp_path):
"""Test migrations from a specific version (0.3) to other versions."""
filepath_archive = get_archive_file('export_v0.3_simple.aiida',
**core_archive)
metadata = read_json_files(filepath_archive,
names=['metadata.json'])[0]
verify_metadata_version(metadata, version='0.3')
migrator_cls = get_migrator(detect_archive_type(filepath_archive))
migrator = migrator_cls(filepath_archive)
with pytest.raises(TypeError, match='version must be a string'):
migrator.migrate(0.2, tmp_path / 'v02.aiida')
with pytest.raises(ArchiveMigrationError,
match='No migration pathway available'):
migrator.migrate('0.2', tmp_path / 'v02.aiida')
# same version migration
out_path = migrator.migrate('0.3', tmp_path / 'v03.aiida')
# if no migration performed the output path is None
assert out_path is None
# newer version migration
migrator.migrate('0.5', tmp_path / 'v05.aiida')
assert (tmp_path / 'v05.aiida').exists()
metadata = read_json_files(tmp_path / 'v05.aiida',
names=['metadata.json'])[0]
verify_metadata_version(metadata, version='0.5')
def test_no_node_migration(self, tmp_path, external_archive):
"""Test migration of archive file that has no Node entities."""
input_file = get_archive_file('export_v0.3_no_Nodes.aiida',
**external_archive)
output_file = tmp_path / 'output_file.aiida'
migrator_cls = get_migrator(detect_archive_type(input_file))
migrator = migrator_cls(input_file)
# Perform the migration
migrator.migrate(newest_version, output_file)
# Load the migrated file
import_data(output_file)
# Check known entities
assert orm.QueryBuilder().append(orm.Node).count() == 0
computer_query = orm.QueryBuilder().append(orm.Computer,
project=['uuid'])
assert computer_query.all(flat=True) == [
'4f33c6fd-b624-47df-9ffb-a58f05d323af'
]
user_query = orm.QueryBuilder().append(orm.User, project=['email'])
assert set(user_query.all(flat=True)) == {
orm.User.objects.get_default().email, 'aiida@localhost'
}
def test_wrong_versions(self, core_archive, tmp_path, version):
"""Test correct errors are raised if archive files have wrong version numbers"""
filepath_archive = get_archive_file('export_v0.1_simple.aiida',
**core_archive)
migrator_cls = get_migrator(detect_archive_type(filepath_archive))
migrator = migrator_cls(filepath_archive)
with pytest.raises(ArchiveMigrationError,
match='No migration pathway available'):
migrator.migrate(version, tmp_path / 'out.aiida')
assert not (tmp_path / 'out.aiida').exists()
def test_full_migration(self, tmp_path, core_archive):
"""Test a migration from the first to newest archive version."""
filepath_archive = get_archive_file('export_v0.1_simple.aiida',
**core_archive)
metadata = read_json_files(filepath_archive,
names=['metadata.json'])[0]
verify_metadata_version(metadata, version='0.1')
migrator_cls = get_migrator(detect_archive_type(filepath_archive))
migrator = migrator_cls(filepath_archive)
migrator.migrate(newest_version, tmp_path / 'out.aiida')
assert detect_archive_type(tmp_path / 'out.aiida') == 'zip'
metadata = read_json_files(tmp_path / 'out.aiida',
names=['metadata.json'])[0]
verify_metadata_version(metadata, version=newest_version)
def test_tar_migration(self, tmp_path, core_archive):
"""Test a migration using a tar compressed in/out file."""
filepath_archive = get_archive_file('export_v0.2_simple.tar.gz',
**core_archive)
metadata = read_json_files(filepath_archive,
names=['metadata.json'])[0]
verify_metadata_version(metadata, version='0.2')
migrator_cls = get_migrator(detect_archive_type(filepath_archive))
migrator = migrator_cls(filepath_archive)
migrator.migrate(newest_version,
tmp_path / 'out.aiida',
out_compression='tar.gz')
assert detect_archive_type(tmp_path / 'out.aiida') == 'tar.gz'
metadata = read_json_files(tmp_path / 'out.aiida',
names=['metadata.json'])[0]
verify_metadata_version(metadata, version=newest_version)
def test_migrate_to_newest(self, external_archive, tmp_path, filename,
nodes):
"""Test migrations from old archives to newest version."""
filepath_archive = get_archive_file(filename, **external_archive)
out_path = tmp_path / 'out.aiida'
migrator_cls = get_migrator(detect_archive_type(filepath_archive))
migrator = migrator_cls(filepath_archive)
out_path = migrator.migrate(newest_version,
out_path) or filepath_archive
metadata = read_json_files(out_path, names=['metadata.json'])[0]
verify_metadata_version(metadata, version=newest_version)
# Load the migrated file
import_data(out_path)
# count nodes
archive_node_count = orm.QueryBuilder().append(orm.Node).count()
assert archive_node_count == nodes
# Verify that CalculationNodes have non-empty attribute dictionaries
calc_query = orm.QueryBuilder().append(orm.CalculationNode)
for [calculation] in calc_query.iterall():
assert isinstance(calculation.attributes, dict)
assert len(calculation.attributes) > 0
# Verify that the StructureData nodes maintained their (same) label, cell, and kinds
struct_query = orm.QueryBuilder().append(orm.StructureData)
assert struct_query.count() == 2
for structure in struct_query.all(flat=True):
assert structure.label == ''
assert structure.cell == [[4, 0, 0], [0, 4, 0], [0, 0, 4]]
known_kinds = [
{
'name': 'Ba',
'mass': 137.327,
'weights': [1],
'symbols': ['Ba']
},
{
'name': 'Ti',
'mass': 47.867,
'weights': [1],
'symbols': ['Ti']
},
{
'name': 'O',
'mass': 15.9994,
'weights': [1],
'symbols': ['O']
},
]
kind_query = orm.QueryBuilder().append(orm.StructureData,
project=['attributes.kinds'])
for kinds in kind_query.all(flat=True):
assert len(kinds) == len(known_kinds)
for kind in kinds:
assert kind in known_kinds
# Check that there is a StructureData that is an input of a CalculationNode
builder = orm.QueryBuilder()
builder.append(orm.StructureData, tag='structure')
builder.append(orm.CalculationNode, with_incoming='structure')
assert len(builder.all()) > 0
# Check that there is a RemoteData that is the output of a CalculationNode
builder = orm.QueryBuilder()
builder.append(orm.CalculationNode, tag='parent')
builder.append(orm.RemoteData, with_incoming='parent')
assert len(builder.all()) > 0