From 8d1bf0152a809e67760920ff61da9d09520327db Mon Sep 17 00:00:00 2001
From: Nathan Daelman <ndaelman.physik.hu-berlin.de>
Date: Mon, 18 Nov 2024 00:19:01 +0100
Subject: [PATCH] Move out `SpinChannel` and `MometumTransfer` to
 `variables.py`

---
 .../schema_packages/properties/band_gap.py    | 29 ++-----------------
 .../schema_packages/variables.py              | 26 ++++++++++++++++-
 tests/properties/test_band_gap.py             |  5 ++--
 3 files changed, 30 insertions(+), 30 deletions(-)

diff --git a/src/nomad_simulations/schema_packages/properties/band_gap.py b/src/nomad_simulations/schema_packages/properties/band_gap.py
index 297effa6..20ccb7a0 100644
--- a/src/nomad_simulations/schema_packages/properties/band_gap.py
+++ b/src/nomad_simulations/schema_packages/properties/band_gap.py
@@ -1,40 +1,17 @@
-from typing import TYPE_CHECKING, Optional
+from typing import TYPE_CHECKING
 
 import numpy as np
-import pint
 from nomad.units import ureg
 from nomad.metainfo import MEnum, Quantity
-from nomad.metainfo.dataset import MDataset, Dataset
-from nomad.datamodel import EntryArchive
+from nomad.metainfo.dataset import MDataset
 from nomad.datamodel.metainfo.physical_properties import PhysicalProperty
+from ..variables import SpinChannel, MomentumTransfer
 
 if TYPE_CHECKING:
     from nomad.datamodel.datamodel import EntryArchive
     from structlog.stdlib import BoundLogger
 
 
-class SpinChannel(MDataset):
-    m_def = Dataset(
-        type=MEnum('up', 'down', 'all'),  # ? alpha, beta
-    )
-
-
-class MomentumTransfer(MDataset):
-    m_def = Dataset(
-        type=np.float64,
-        shape=[2, 3],
-        unit='1/meter',
-        description="""
-        The change in momentum for any (quasi-)particle, e.g. electron, hole,
-        traversing the band gap.
-
-        For example, the momentum transfer in bulk Si happens
-        between the Γ and X points in the Brillouin zone; thus:
-            `momentum_transfer = [[0, 0, 0], [0.5, 0.5, 0]]`.
-        """,
-    )
-
-
 class ElectronicBandGap(MDataset):  # ? add optical band gap
     m_def = PhysicalProperty(
         type=np.float64,
diff --git a/src/nomad_simulations/schema_packages/variables.py b/src/nomad_simulations/schema_packages/variables.py
index 34e3c8c4..25487f4b 100644
--- a/src/nomad_simulations/schema_packages/variables.py
+++ b/src/nomad_simulations/schema_packages/variables.py
@@ -2,7 +2,9 @@
 
 import numpy as np
 from nomad.datamodel.data import ArchiveSection
-from nomad.metainfo import Quantity
+from nomad.metainfo import MEnum, Quantity
+from nomad.metainfo.dataset import MDataset, Dataset
+from nomad.datamodel.metainfo.physical_properties import PhysicalProperty
 
 if TYPE_CHECKING:
     from nomad.datamodel.datamodel import EntryArchive
@@ -17,6 +19,28 @@
 )
 
 
+class SpinChannel(MDataset):
+    m_def = Dataset(
+        type=MEnum('up', 'down', 'all'),  # ? alpha, beta
+    )
+
+
+class MomentumTransfer(MDataset):
+    m_def = Dataset(
+        type=np.float64,
+        shape=[2, 3],
+        unit='1/meter',
+        description="""
+        The change in momentum for any (quasi-)particle, e.g. electron, hole,
+        traversing the band gap.
+
+        For example, the momentum transfer in bulk Si happens
+        between the Γ and X points in the Brillouin zone; thus:
+            `momentum_transfer = [[0, 0, 0], [0.5, 0.5, 0]]`.
+        """,
+    )
+
+
 class Variables(ArchiveSection):
     """
     Variables over which the physical property varies, and they are defined as grid points, i.e., discretized
diff --git a/tests/properties/test_band_gap.py b/tests/properties/test_band_gap.py
index 3b4234e7..64c33c2c 100644
--- a/tests/properties/test_band_gap.py
+++ b/tests/properties/test_band_gap.py
@@ -5,12 +5,11 @@
 from nomad.datamodel import EntryArchive
 from nomad.units import ureg
 
-from nomad_simulations.schema_packages.properties.band_gap import (
-    ElectronicBandGap,
+from nomad_simulations.schema_packages.variables import (
     SpinChannel,
     MomentumTransfer,
 )
-# from nomad_simulations.schema_packages.variables import Temperature
+from nomad_simulations.schema_packages.properties import ElectronicBandGap
 
 from . import logger