Restructure tests

tests/conftest.py

@@ -1,7 +1,26 @@
+#
+# 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 logging
+import os
 
 import pytest
 import structlog
+from nomad.client import parse
 from nomad.utils import structlogging
 from structlog.testing import LogCapture
 
@@ -34,3 +53,31 @@ def fixture_caplog(request):
         processors.clear()
         processors.extend(old_processors)
         structlog.configure(processors=processors)
+
+
+@pytest.fixture(
+    name='parsed_measurement_archive',
+    scope='function',
+)
+def fixture_parsed_measurement_archive(request):
+    """
+    Sets up data for testing and cleans up after the test. The data file is parsed,
+    returning an `EntryArchive` object. It contains a reference to the `.archive.json`
+    file created by plugin parsers for the measurement data. Parsing this
+    `.archive.json` file returns the `EntryArchive` object for the measurement data,
+    which is finally yeilded to the test function.
+    """
+    rel_file_path = request.param
+    file_archive = parse(rel_file_path)[0]
+
+    rel_measurement_archive_path = os.path.join(
+        rel_file_path.rsplit('.', 1)[0] + '.archive.json'
+    )
+    assert file_archive.data.measurement.m_proxy_value == os.path.abspath(
+        rel_measurement_archive_path
+    )
+
+    yield parse(rel_measurement_archive_path)[0]
+
+    if os.path.exists(rel_measurement_archive_path):
+        os.remove(rel_measurement_archive_path)

tests/test_xrd.py

@@ -0,0 +1,62 @@
+#
+# 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
+from nomad.client import normalize_all
+
+test_files = [
+    'tests/data/xrd/XRD-918-16_10.xrdml',
+    'tests/data/xrd/m54313_om2th_10.xrdml',
+    'tests/data/xrd/m82762_rc1mm_1_16dg_src_slit_phi-101_3dg_-420_mesh_long.xrdml',
+    'tests/data/xrd/23-012-AG_2thomegascan_long.brml',
+    'tests/data/xrd/EJZ060_13_004_RSM.brml',
+    'tests/data/xrd/Omega-2Theta_scan_high_temperature.rasx',
+    'tests/data/xrd/RSM_111_sdd=350.rasx',
+    'tests/data/xrd/TwoTheta_scan_powder.rasx',
+]
+log_levels = ['error', 'critical']
+
+
+@pytest.mark.parametrize(
+    'parsed_measurement_archive, caplog',
+    [(file, log_level) for file in test_files for log_level in log_levels],
+    indirect=True,
+)
+def test_normalize_all(parsed_measurement_archive, caplog):
+    """
+    Tests the normalization of the parsed archive.
+
+    Args:
+        parsed_archive (pytest.fixture): Fixture to handle the parsing of archive.
+        caplog (pytest.fixture): Fixture to capture errors from the logger.
+    """
+    normalize_all(parsed_measurement_archive)
+
+    assert (
+        parsed_measurement_archive.data.xrd_settings.source.xray_tube_material == 'Cu'
+    )
+    assert parsed_measurement_archive.data.results[
+        0
+    ].source_peak_wavelength.magnitude == pytest.approx(1.540598, 1e-2)
+    if len(parsed_measurement_archive.data.results[0].intensity.shape) == 1:
+        assert (
+            parsed_measurement_archive.results.properties.structural.diffraction_pattern[
+                0
+            ].incident_beam_wavelength.magnitude
+            * 1e10
+            == pytest.approx(1.540598, 1e-2)
+        )