Fix test_is_derived

src/nomad_simulations/physical_property.py

@@ -105,12 +105,13 @@ class PhysicalProperty(ArchiveSection):
         """,
     )
 
-    physical_property_ref = Quantity(
-        type=Reference(SectionProxy('PhysicalProperty')),
+    physical_property_ref = SubSection(
+        section_def=SectionProxy('PhysicalProperty'),
         description="""
         Reference to the `PhysicalProperty` section from which the physical property was derived. If `physical_property_ref`
         is populated, the quantity `is_derived` is set to True via normalization.
         """,
+        repeats=False,
     )
 
     is_derived = Quantity(

tests/conftest.py

@@ -22,6 +22,8 @@
 
 from nomad.units import ureg
 from nomad.datamodel import EntryArchive
+from nomad.datamodel.data import ArchiveSection
+from nomad.metainfo import Quantity, Section, Context, SubSection
 
 from . import logger
 
@@ -31,6 +33,7 @@
 from nomad_simulations.model_method import ModelMethod
 from nomad_simulations.numerical_settings import SelfConsistency
 from nomad_simulations.outputs import Outputs, SCFOutputs
+from nomad_simulations.physical_property import PhysicalProperty
 from nomad_simulations.variables import Energy2 as Energy
 from nomad_simulations.properties import (
     ElectronicBandGap,

tests/test_physical_properties.py

@@ -21,7 +21,8 @@
 
 from nomad.units import ureg
 from nomad.datamodel import EntryArchive
-from nomad.metainfo import Quantity, Section, Context
+from nomad.datamodel.data import ArchiveSection
+from nomad.metainfo import Quantity, Section, Context, SubSection
 
 from . import logger
 
@@ -48,6 +49,12 @@ def __init__(
         super().__init__(m_def, m_context, **kwargs)
 
 
+class SectionWithProperties(ArchiveSection):
+    m_def = Section()
+
+    physical_property = SubSection(sub_section=PhysicalProperty.m_def, repeats=True)
+
+
 class TestPhysicalProperty:
     """
     Test the `PhysicalProperty` class defined in `physical_property.py`.
@@ -162,24 +169,27 @@ def test_is_derived(self):
         """
         Test the `normalize` and `_is_derived` methods.
         """
+        section = SectionWithProperties()
         # Testing a directly parsed physical property
-        not_derived_physical_property = PhysicalProperty(
+        not_derived_property = PhysicalProperty(
             m_def=Section(
                 iri='http://fairmat-nfdi.eu/taxonomy/PhysicalProperty', rank=[]
             )
         )
-        not_derived_physical_property.source = 'simulation'
-        assert not_derived_physical_property._is_derived() is False
-        not_derived_physical_property.normalize(EntryArchive(), logger)
-        assert not_derived_physical_property.is_derived is False
+        not_derived_property.source = 'simulation'
+        section.physical_property.append(not_derived_property)
+        assert not_derived_property._is_derived() is False
+        not_derived_property.normalize(EntryArchive(), logger)
+        assert not_derived_property.is_derived is False
         # Testing a derived physical property
-        derived_physical_property = PhysicalProperty(
+        derived_property = PhysicalProperty(
             m_def=Section(
                 iri='http://fairmat-nfdi.eu/taxonomy/PhysicalProperty', rank=[]
             )
         )
-        derived_physical_property.source = 'analysis'
-        derived_physical_property.physical_property_ref = not_derived_physical_property
-        assert derived_physical_property._is_derived() is True
-        derived_physical_property.normalize(EntryArchive(), logger)
-        assert derived_physical_property.is_derived is True
+        section.physical_property.append(derived_property)
+        derived_property.source = 'analysis'
+        derived_property.physical_property_ref = not_derived_property
+        assert derived_property._is_derived() is True
+        derived_property.normalize(EntryArchive(), logger)
+        assert derived_property.is_derived is True