From 057f4a9ea317c836365dbc21f6de96a972684280 Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?Hampus=20N=C3=A4sstr=C3=B6m?= <hampus.nasstrom@gmail.com>
Date: Tue, 19 Nov 2024 07:50:24 +0100
Subject: [PATCH] 139 merge sections still breaking for pint quantity arrays
 (#140)

* Added breaking test for float array with units

* Added fix for comparison of pint quantity arrays

* Added test for multi dimensional array

* Ruff
---
 src/nomad_measurements/utils.py |  7 ++++---
 tests/test_first_utils.py       | 16 +++++++++++-----
 2 files changed, 15 insertions(+), 8 deletions(-)

diff --git a/src/nomad_measurements/utils.py b/src/nomad_measurements/utils.py
index 32d2ee9b..58389fca 100644
--- a/src/nomad_measurements/utils.py
+++ b/src/nomad_measurements/utils.py
@@ -68,9 +68,10 @@ def create_archive(
 
 
 def _not_equal(a, b) -> bool:
-    if isinstance(a, np.ndarray):
-        return (a != b).any()
-    return a != b
+    comparison = a != b
+    if isinstance(comparison, np.ndarray):
+        return comparison.any()
+    return comparison
 
 
 def merge_sections(  # noqa: PLR0912
diff --git a/tests/test_first_utils.py b/tests/test_first_utils.py
index 854f8b4b..fdf7287b 100644
--- a/tests/test_first_utils.py
+++ b/tests/test_first_utils.py
@@ -24,6 +24,7 @@
     PureSubstanceSection,
 )
 from nomad.metainfo import MEnum, Quantity
+from nomad.units import ureg
 
 from nomad_measurements.utils import (
     merge_sections,
@@ -31,7 +32,8 @@
 
 
 class TestComponent(Component):
-    float_array = Quantity(type=np.float64, shape=['*'])
+    float_array = Quantity(type=np.float64, shape=[2, '*'])
+    float_array_w_units = Quantity(type=np.float64, shape=['*'], unit='eV')
     bool_array = Quantity(type=bool, shape=['*'])
     enum_value = Quantity(type=MEnum(['A', 'B', 'C']))
 
@@ -39,14 +41,16 @@ class TestComponent(Component):
 def test_merge_sections(capfd):
     component_1 = TestComponent(
         mass_fraction=1,
-        float_array=[1.0, 1.0],
+        float_array=[[1.0, 1.0], [1.0, 3.0]],
+        float_array_w_units=[1.0, 1.0],
         bool_array=[True, False],
         enum_value='A',
     )
     component_2 = TestComponent(
         name='Cu',
         mass_fraction=1,
-        float_array=[1.0, 3.0],
+        float_array=[[1.0, 3.0], [1.0, 3.0]],
+        float_array_w_units=[1.0, 1.0],
         bool_array=[True, True],
         enum_value='A',
     )
@@ -86,8 +90,10 @@ def test_merge_sections(capfd):
     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].float_array[0][0] == 1.0
+    assert system_1.components[0].float_array[0][1] == 1.0
+    assert system_1.components[0].float_array_w_units[0] == ureg.Quantity(1.0, 'eV')
+    assert system_1.components[0].float_array_w_units[1] == ureg.Quantity(1.0, 'eV')
     assert system_1.components[0].enum_value == 'A'
     assert system_1.components[1].name == 'Cu'
     assert system_1.components[1].pure_substance.name == 'Cu'