Added testing for utils.py

src/nomad_simulations/utils/utils.py

@@ -28,8 +28,8 @@
 def get_sibling_section(
     section: ArchiveSection,
     sibling_section_name: str,
+    logger: BoundLogger,
     index_sibling: int = 0,
-    logger: BoundLogger = None,
 ) -> Optional[ArchiveSection]:
     """
     Gets the sibling section of a section by performing a seesaw move by going to the parent
@@ -112,7 +112,7 @@ def degeneracy(self):
         )
 
 
-def is_not_representative(model_system, logger: BoundLogger = None):
+def is_not_representative(model_system, logger: BoundLogger):
     """
     Checks if the given `ModelSystem` is not representative and logs a warning.
 
@@ -123,13 +123,16 @@ def is_not_representative(model_system, logger: BoundLogger = None):
     Returns:
         (bool): True if the `ModelSystem` is not representative, False otherwise.
     """
+    if model_system is None:
+        logger.warning('The `ModelSystem` is empty.')
+        return None
     if not model_system.is_representative:
         logger.warning('The `ModelSystem` was not found to be representative.')
         return True
     return False
 
 
-def check_archive(archive: EntryArchive, logger: BoundLogger = None):
+def check_archive(archive: EntryArchive, logger: BoundLogger):
     """
     Checks if the given `EntryArchive` is empty and logs a warning.
 

tests/test_utils.py

@@ -0,0 +1,72 @@
+#
+# Copyright The NOMAD Authors.
+#
+# This file is part of NOMAD. See https://nomad-lab.eu for further info.
+#
+# Licensed under the Apache License, Version 2.0 (the "License");
+# you may not use this file except in compliance with the License.
+# You may obtain a copy of the License at
+#
+#     http://www.apache.org/licenses/LICENSE-2.0
+#
+# Unless required by applicable law or agreed to in writing, software
+# distributed under the License is distributed on an "AS IS" BASIS,
+# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
+# See the License for the specific language governing permissions and
+# limitations under the License.
+#
+
+import pytest
+import numpy as np
+
+from nomad.datamodel import EntryArchive
+
+from . import logger
+from nomad_simulations.utils import (
+    get_sibling_section,
+    is_not_representative,
+    check_archive,
+)
+from nomad_simulations.model_system import ModelSystem, AtomicCell, Symmetry
+
+
+def test_get_sibling_section():
+    """
+    Test the `get_sibling_section` utility function.
+    """
+    parent_section = ModelSystem()
+    section = AtomicCell(type='original')
+    parent_section.atomic_cell.append(section)
+    sibling_section = Symmetry()
+    parent_section.symmetry.append(sibling_section)
+    assert get_sibling_section(section, '', logger) is None
+    assert get_sibling_section(section, 'symmetry', logger) == sibling_section
+    assert get_sibling_section(sibling_section, 'atomic_cell', logger) == section
+    assert get_sibling_section(section, 'symmetry', logger, index_sibling=2) is None
+    section2 = AtomicCell(type='primitive')
+    parent_section.atomic_cell.append(section2)
+    assert (
+        get_sibling_section(sibling_section, 'atomic_cell', logger, index_sibling=0)
+        == section
+    )
+    assert (
+        get_sibling_section(sibling_section, 'atomic_cell', logger, index_sibling=1)
+        == section2
+    )
+
+
+def test_is_not_representative():
+    """
+    Test the `is_not_representative` utility function.
+    """
+    assert is_not_representative(None, logger) is None
+    assert is_not_representative(ModelSystem(), logger)
+    assert not is_not_representative(ModelSystem(is_representative=True), logger)
+
+
+def test_check_archive():
+    """
+    Test the `check_archive` utility function.
+    """
+    assert not check_archive(None, logger)
+    assert check_archive(EntryArchive(), logger)