137 merge sections break for non scalar quantities (#138)

* Added breaking test for boolean array

* Added more breaking test cases

* Added fix for comparing non numpy arrays

* Ruff

* Enhance test_merge_sections to capture output and validate float_array values

* Refine warning message for merging sections with differing quantity values

* Refactor merge_sections to improve warning logic for differing quantity values

src/nomad_measurements/utils.py

@@ -67,6 +67,12 @@ def create_archive(
     )
 
 
+def _not_equal(a, b) -> bool:
+    if isinstance(a, np.ndarray):
+        return (a != b).any()
+    return a != b
+
+
 def merge_sections(  # noqa: PLR0912
     section: 'ArchiveSection',
     update: 'ArchiveSection',
@@ -87,12 +93,7 @@ def merge_sections(  # noqa: PLR0912
             continue
         if not section.m_is_set(quantity):
             section.m_set(quantity, update.m_get(quantity))
-        elif (
-            quantity.is_scalar
-            and section.m_get(quantity) != update.m_get(quantity)
-            or not quantity.is_scalar
-            and (section.m_get(quantity) != update.m_get(quantity)).any()
-        ):
+        elif _not_equal(section.m_get(quantity), update.m_get(quantity)):
             warning = f'Merging sections with different values for quantity "{name}".'
             if logger:
                 logger.warning(warning)

tests/test_first_utils.py

@@ -16,25 +16,39 @@
 # limitations under the License.
 #
 
+import numpy as np
 from nomad.datamodel.metainfo.basesections import (
     Component,
     CompositeSystem,
     PureSubstanceComponent,
     PureSubstanceSection,
 )
+from nomad.metainfo import MEnum, Quantity
 
 from nomad_measurements.utils import (
     merge_sections,
 )
 
 
-def test_merge_sections():
-    component_1 = Component(
+class TestComponent(Component):
+    float_array = Quantity(type=np.float64, shape=['*'])
+    bool_array = Quantity(type=bool, shape=['*'])
+    enum_value = Quantity(type=MEnum(['A', 'B', 'C']))
+
+
+def test_merge_sections(capfd):
+    component_1 = TestComponent(
         mass_fraction=1,
+        float_array=[1.0, 1.0],
+        bool_array=[True, False],
+        enum_value='A',
     )
-    component_2 = Component(
+    component_2 = TestComponent(
         name='Cu',
         mass_fraction=1,
+        float_array=[1.0, 3.0],
+        bool_array=[True, True],
+        enum_value='A',
     )
     substance_1 = PureSubstanceSection(
         name='Cu',
@@ -62,8 +76,19 @@ def test_merge_sections():
     )
     system_3 = CompositeSystem()
     merge_sections(system_1, system_2)
+    out, _ = capfd.readouterr()
+    assert out == (
+        'Merging sections with different values for quantity "float_array".\n'
+        'Merging sections with different values for quantity "bool_array".\n'
+        'Merging sections with different values for quantity "name".\n'
+    )
     assert system_1.components[0].mass_fraction == 1
     assert system_1.components[0].name == 'Cu'
+    assert system_1.components[0].bool_array[0] is True
+    assert system_1.components[0].bool_array[1] is False
+    assert system_1.components[0].float_array[0] == 1.0
+    assert system_1.components[0].float_array[1] == 1.0
+    assert system_1.components[0].enum_value == 'A'
     assert system_1.components[1].name == 'Cu'
     assert system_1.components[1].pure_substance.name == 'Cu'
     assert system_1.components[1].pure_substance.iupac_name == 'Copper'