fixing issues with imping flux units (#40)

Co-authored-by: Michael Goette <[email protected]>
FAIRmat-NFDI · May 28, 2024 · 0e617a9 · 0e617a9
1 parent 8d59a57
commit 0e617a9
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Showing 2 changed files with 63 additions and 21 deletions.
diff --git a/src/nomad_material_processing/vapor_deposition/pvd/__init__.py b/src/nomad_material_processing/vapor_deposition/pvd/__init__.py
@@ -65,10 +65,23 @@ class SourcePower(TimeSeries):
             y='value',
         ),
     )
-    value = TimeSeries.value.m_copy()
-    value.unit = 'watt'
-    set_value = TimeSeries.set_value.m_copy()
-    set_value.unit = 'watt'
+
+    value = Quantity(
+        type=float,
+        unit='watt',
+        shape=['*'],
+    )
+    set_value = Quantity(
+        type=float,
+        description='The set value(s) (i.e. the intended values) set.',
+        shape=['*'],
+        unit='watt',
+        a_eln=ELNAnnotation(
+            component=ELNComponentEnum.NumberEditQuantity,
+            label='Set value',
+            defaultDisplayUnit='watt',
+        ),
+    )
 
 
 class PVDEvaporationSource(EvaporationSource):
@@ -105,10 +118,23 @@ class ImpingingFlux(TimeSeries):
             component=ELNComponentEnum.EnumEditQuantity,
         ),
     )
-    value = TimeSeries.value.m_copy()
-    value.unit = 'mol/meter ** 2/second'
-    set_value = TimeSeries.set_value.m_copy()
-    set_value.unit = 'mol/meter ** 2/second'
+
+    value = Quantity(
+        type=float,
+        unit='mol/meter ** 2/second',
+        shape=['*'],
+    )
+    set_value = Quantity(
+        type=float,
+        description='The set value(s) (i.e. the intended values) set.',
+        shape=['*'],
+        unit='mol/meter ** 2/second',
+        a_eln=ELNAnnotation(
+            component=ELNComponentEnum.NumberEditQuantity,
+            label='Set value',
+            defaultDisplayUnit='mol/meter ** 2/second',
+        ),
+    )
 
 
 class PVDSource(VaporDepositionSource):
@@ -117,11 +143,11 @@ class PVDSource(VaporDepositionSource):
             dict(
                 x=[
                     'vapor_source/power/time',
-                    'impinging_flux/time',
+                    'impinging_flux/:/time',
                 ],
                 y=[
                     'vapor_source/power/value',
-                    'impinging_flux/value',
+                    'impinging_flux/:/value',
                 ],
             ),
         ],

diff --git a/src/nomad_material_processing/vapor_deposition/pvd/thermal.py b/src/nomad_material_processing/vapor_deposition/pvd/thermal.py
@@ -35,6 +35,11 @@
     PhysicalVaporDeposition,
 )
 
+from nomad.datamodel.metainfo.annotations import (
+    ELNAnnotation,
+    ELNComponentEnum,
+)
+
 if TYPE_CHECKING:
     from nomad.datamodel.datamodel import (
         EntryArchive,
@@ -59,11 +64,22 @@ class ThermalEvaporationHeaterTemperature(TimeSeries):
             y='value',
         ),
     )
-    value = TimeSeries.value.m_copy()
-    value.unit = 'kelvin'
-    set_value = TimeSeries.set_value.m_copy()
-    set_value.unit = 'kelvin'
-    set_value.a_eln.defaultDisplayUnit = 'celsius'
+    value = Quantity(
+        type=float,
+        unit='kelvin',
+        shape=['*'],
+    )
+    set_value = Quantity(
+        type=float,
+        description='The set value(s) (i.e. the intended values) set.',
+        shape=['*'],
+        unit='kelvin',
+        a_eln=ELNAnnotation(
+            component=ELNComponentEnum.NumberEditQuantity,
+            label='Set value',
+            defaultDisplayUnit='celsius',
+        ),
+    )
 
 
 class ThermalEvaporationHeater(PVDEvaporationSource):
@@ -102,11 +118,11 @@ class ThermalEvaporationSource(PVDSource):
     m_def = Section(
         a_plot=dict(
             x=[
-                'impinging_flux/time',
+                'impinging_flux/:/time',
                 'vapor_source/temperature/time',
             ],
             y=[
-                'impinging_flux/value',
+                'impinging_flux/:/value',
                 'vapor_source/temperature/value',
             ],
             lines=[
@@ -134,8 +150,8 @@ class ThermalEvaporationStep(PVDStep):
     m_def = Section(
         a_plot=[
             dict(
-                x='sources/:/impinging_flux/time',
-                y='sources/:/impinging_flux/value',
+                x='sources/:/impinging_flux/:/time',
+                y='sources/:/impinging_flux/:/value',
             ),
             dict(
                 x='sources/:/vapor_source/temperature/time',
@@ -173,8 +189,8 @@ class ThermalEvaporation(PhysicalVaporDeposition):
         links=['http://purl.obolibrary.org/obo/CHMO_0001360'],
         a_plot=[
             dict(
-                x='steps/:/sources/:/impinging_flux/time',
-                y='steps/:/sources/:/impinging_flux/value',
+                x='steps/:/sources/:/impinging_flux/:/time',
+                y='steps/:/sources/:/impinging_flux/:/value',
             ),
             dict(
                 x='steps/:/sources/:/vapor_source/temperature/time',