add sample mounting and fix orders

src/nomad_ikz_raman/schema_packages/raman.py

@@ -22,6 +22,7 @@
 import plotly.express as px
 from nomad.config import config
 from nomad.datamodel.data import ArchiveSection, EntryData
+from nomad.datamodel.metainfo.annotations import ELNAnnotation, SectionProperties
 from nomad.datamodel.metainfo.basesections import (
     CompositeSystemReference,
     Instrument,
@@ -292,6 +293,33 @@ class Results(MeasurementResult, PlotSection):
     )
 
 
+class Sample(CompositeSystemReference):
+    m_def = Section(
+        a_eln=ELNAnnotation(
+            properties=SectionProperties(
+                order=[
+                    'name',
+                    'reference',
+                    'lab_id',
+                    'pointing_vector',
+                    'crystallographic_direction_of_E_vector',
+                ],
+            ),
+            overview=True,
+        )
+    )
+    pointing_vector = Quantity(
+        type=str,
+        description='Pointing vector referenced to surface normal in h k l, e.g. (100).',
+        a_eln={'component': 'StringEditQuantity'},
+    )
+    crystallographic_direction_of_E_vector = Quantity(
+        type=str,
+        description='E vector corresponding to crystallographic direction, e.g. {111}',
+        a_eln={'component': 'StringEditQuantity'},
+    )
+
+
 class RamanSpectrometer(Instrument, EntryData, ArchiveSection):
     """
     Class autogenerated from yaml schema.
@@ -371,7 +399,22 @@ class Ramanspectroscopy(Measurement, PlotSection, EntryData, ArchiveSection):
     """
 
     m_def = Section(
-        a_eln=None,
+        a_eln=ELNAnnotation(
+            properties=SectionProperties(
+                order=[
+                    'name',
+                    'datetime',
+                    'title',
+                    'lab_id',
+                    'data_file',
+                    'project',
+                    'operator',
+                    'location',
+                    'method',
+                    'description',
+                ],
+            )
+        ),
         a_template={
             'manualsettings': {},
         },
@@ -413,7 +456,7 @@ class Ramanspectroscopy(Measurement, PlotSection, EntryData, ArchiveSection):
         description='Data file *.xml containing the Raman data.',
         a_eln={'component': 'FileEditQuantity'},
     )
-
+    samples = SubSection(section_def=Sample)
     instruments = SubSection(
         section_def=RamanSpectrometerReference,
     )