spectrochempy-hypercomplex 0.1.1__tar.gz → 0.1.2__tar.gz

{spectrochempy_hypercomplex-0.1.1 → spectrochempy_hypercomplex-0.1.2}/PKG-INFO

@@ -1,8 +1,8 @@
 Metadata-Version: 2.4
 Name: spectrochempy-hypercomplex
-Version: 0.1.1
+Version: 0.1.2
 Summary: Hypercomplex / quaternion support plugin for SpectroChemPy
 Requires-Python: >=3.11
-Requires-Dist: spectrochempy<0.10,>=0.9.0.dev0
+Requires-Dist: spectrochempy<0.10,>=0.9
 Requires-Dist: numpy
 Requires-Dist: numpy-quaternion>=2024.0.7

{spectrochempy_hypercomplex-0.1.1 → spectrochempy_hypercomplex-0.1.2}/pyproject.toml

@@ -4,11 +4,11 @@ build-backend = "setuptools.build_meta"
 
 [project]
 name = "spectrochempy-hypercomplex"
-version = "0.1.1"
+version = "0.1.2"
 description = "Hypercomplex / quaternion support plugin for SpectroChemPy"
 requires-python = ">=3.11"
 dependencies = [
-    "spectrochempy>=0.9.0.dev0,<0.10",
+    "spectrochempy>=0.9,<0.10",
     "numpy",
     "numpy-quaternion>=2024.0.7",
 ]

{spectrochempy_hypercomplex-0.1.1 → spectrochempy_hypercomplex-0.1.2}/src/spectrochempy_hypercomplex/__init__.py

@@ -310,9 +310,9 @@ class HyperComplexPlugin(SpectroChemPyPlugin):
     """Hypercomplex / quaternion support for SpectroChemPy."""
 
     name = "hypercomplex"
-    version = "0.1.0"
+    version = "0.1.2"
     description = "Hypercomplex / quaternion data support"
-    spectrochempy_min_version = "0.9.0.dev0"
+    spectrochempy_min_version = "0.9.0"
     PLUGIN_API_VERSION = CORE_PLUGIN_API_VERSION
     capabilities = [PluginCapability.ACCESSOR]
 

{spectrochempy_hypercomplex-0.1.1 → spectrochempy_hypercomplex-0.1.2}/src/spectrochempy_hypercomplex/_quaternion.py

@@ -65,10 +65,8 @@ def as_quaternion(*args):
     else:
         raise ValueError("as_quaternion requires 2 or 4 arguments")
 
-    data = as_quat_array(
-        list(zip(w.flatten(), x.flatten(), y.flatten(), z.flatten(), strict=False)),
-    )
-    return data.reshape(w.shape)
+    stacked = np.stack([w, x, y, z], axis=-1)
+    return as_quat_array(stacked)
 
 
 def quat_as_complex_array(arr):
@@ -90,8 +88,11 @@ def quat_as_complex_array(arr):
     if typequaternion is None or arr.dtype != typequaternion:
         return arr
 
-    wt, xt, yt, zt = as_float_array(arr).T
-    w, x, y, z = wt.T, xt.T, yt.T, zt.T
+    float_arr = as_float_array(arr)
+    w = float_arr[..., 0]
+    x = float_arr[..., 1]
+    y = float_arr[..., 2]
+    z = float_arr[..., 3]
 
     return (w + 1j * x), (y + 1j * z)
 
@@ -136,8 +137,11 @@ def get_component(data, select="REAL"):
     w = x = y = z = None
 
     if typequaternion is not None and new.dtype == typequaternion:
-        w, x, y, z = as_float_array(new).T
-        w, x, y, z = w.T, x.T, y.T, z.T
+        float_arr = as_float_array(new)
+        w = float_arr[..., 0]
+        x = float_arr[..., 1]
+        y = float_arr[..., 2]
+        z = float_arr[..., 3]
         if select == "R":
             new = w + x * 1j
         elif select == "I":

{spectrochempy_hypercomplex-0.1.1 → spectrochempy_hypercomplex-0.1.2}/src/spectrochempy_hypercomplex.egg-info/PKG-INFO

@@ -1,8 +1,8 @@
 Metadata-Version: 2.4
 Name: spectrochempy-hypercomplex
-Version: 0.1.1
+Version: 0.1.2
 Summary: Hypercomplex / quaternion support plugin for SpectroChemPy
 Requires-Python: >=3.11
-Requires-Dist: spectrochempy<0.10,>=0.9.0.dev0
+Requires-Dist: spectrochempy<0.10,>=0.9
 Requires-Dist: numpy
 Requires-Dist: numpy-quaternion>=2024.0.7

{spectrochempy_hypercomplex-0.1.1 → spectrochempy_hypercomplex-0.1.2}/src/spectrochempy_hypercomplex.egg-info/requires.txt

@@ -1,3 +1,3 @@
-spectrochempy<0.10,>=0.9.0.dev0
+spectrochempy<0.10,>=0.9
 numpy
 numpy-quaternion>=2024.0.7

spectrochempy_hypercomplex-0.1.2/tests/test_hypercomplex.py

@@ -0,0 +1,126 @@
+# ruff: noqa: S101
+import numpy as np
+import pytest
+
+
+class TestHyperAccessor:
+    def test_accessor_registered(self):
+        import spectrochempy as scp
+
+        ds = scp.NDDataset([1.0, 2.0, 3.0])
+        assert hasattr(ds, "hyper")
+
+    def test_is_quaternion_false_for_real(self):
+        import spectrochempy as scp
+
+        ds = scp.NDDataset([1.0, 2.0, 3.0])
+        assert ds.hyper.is_quaternion is False
+
+    def test_set_quaternion_creates_quaternion_dtype(self):
+        import spectrochempy as scp
+
+        ds = scp.NDDataset([1.0, 2.0, 3.0, 4.0])
+        result = ds.hyper.set_quaternion()
+        assert result._data.dtype.name == "quaternion"
+
+    def test_component_real_data_noop(self):
+        import spectrochempy as scp
+
+        ds = scp.NDDataset([1.0, 2.0, 3.0])
+        result = ds.hyper.component("RR")
+        assert result is not None
+
+    def test_RR_RI_IR_II_raise_for_real(self):
+        import spectrochempy as scp
+
+        ds = scp.NDDataset([1.0, 2.0, 3.0])
+        for prop in ["RR", "RI", "IR", "II"]:
+            with pytest.raises(TypeError):
+                getattr(ds.hyper, prop)
+
+
+class TestNDMathHandlers:
+    def test_handler_registration(self):
+        from spectrochempy.plugins import manager
+
+        registry = manager.plugin_manager.registry
+        assert registry.get_handler("ndmath.execution_branch") is not None
+        assert registry.get_handler("ndmath.execute") is not None
+
+
+class TestQuaternionFunctions:
+    def test_as_quaternion_roundtrip(self):
+        from spectrochempy_hypercomplex._quaternion import as_quaternion
+        from spectrochempy_hypercomplex._quaternion import quat_as_complex_array
+
+        w = np.array([1.0, 2.0, 3.0])
+        x = np.array([0.5, 0.6, 0.7])
+        q = as_quaternion(w, x, w, x)
+        c1, c2 = quat_as_complex_array(q)
+        assert np.allclose(c1, w + 1j * x)
+        assert np.allclose(c2, w + 1j * x)
+
+    def test_as_quaternion_2args(self):
+        from spectrochempy_hypercomplex._quaternion import as_quaternion
+
+        r = np.array([1.0, 2.0]) + 1j * np.array([0.5, 0.6])
+        i = np.array([3.0, 4.0]) + 1j * np.array([0.7, 0.8])
+        q = as_quaternion(r, i)
+        assert q.dtype.name == "quaternion"
+        assert q.shape == (2,)
+
+    def test_as_quaternion_2d_shape_preserved(self):
+        from spectrochempy_hypercomplex._quaternion import as_quaternion
+
+        w = np.ones((3, 4))
+        x = np.zeros((3, 4))
+        q = as_quaternion(w, x, w, x)
+        assert q.shape == (3, 4)
+
+    def test_quat_as_complex_array_nd(self):
+        from spectrochempy_hypercomplex._quaternion import as_quaternion
+        from spectrochempy_hypercomplex._quaternion import quat_as_complex_array
+
+        w = np.arange(24.0).reshape(2, 3, 4)
+        x = np.arange(24.0, 48.0).reshape(2, 3, 4)
+        q = as_quaternion(w, x, w, x)
+        c1, c2 = quat_as_complex_array(q)
+        assert c1.shape == (2, 3, 4)
+        assert np.allclose(c1, w + 1j * x)
+
+    def test_get_component_quaternion_2d(self):
+        from spectrochempy_hypercomplex._quaternion import as_quaternion
+        from spectrochempy_hypercomplex._quaternion import get_component
+
+        w = np.ones((3, 4))
+        x = np.full((3, 4), 2.0)
+        y = np.full((3, 4), 3.0)
+        z = np.full((3, 4), 4.0)
+        q = as_quaternion(w, x, y, z)
+        assert np.allclose(get_component(q, "RR"), w)
+        assert np.allclose(get_component(q, "RI"), x)
+        assert np.allclose(get_component(q, "IR"), y)
+        assert np.allclose(get_component(q, "II"), z)
+
+    def test_get_component_raises_bad_select(self):
+        from spectrochempy_hypercomplex._quaternion import as_quaternion
+        from spectrochempy_hypercomplex._quaternion import get_component
+
+        q = as_quaternion(np.ones(3), np.zeros(3), np.ones(3), np.zeros(3))
+        with pytest.raises(ValueError, match="cannot interpret"):
+            get_component(q, "RRI")
+
+    def test_data_remains_real_noop(self):
+        from spectrochempy_hypercomplex._quaternion import get_component
+
+        arr = np.array([1.0, 2.0, 3.0])
+        result = get_component(arr, "RR")
+        assert np.array_equal(result, arr)
+
+    def test_interleaved2complex(self):
+        from spectrochempy_hypercomplex._quaternion import interleaved2complex
+
+        data = np.array([1.0, 2.0, 3.0, 4.0, 5.0, 6.0])
+        result = interleaved2complex(data)
+        expected = np.array([1.0 + 2.0j, 3.0 + 4.0j, 5.0 + 6.0j])
+        assert np.allclose(result, expected)

spectrochempy_hypercomplex-0.1.1/tests/test_hypercomplex.py

@@ -1,49 +0,0 @@
-# ruff: noqa: S101
-import pytest
-
-
-class TestHyperAccessor:
-    def test_accessor_registered(self):
-        import spectrochempy as scp
-
-        ds = scp.NDDataset([1.0, 2.0, 3.0])
-        assert hasattr(ds, "hyper")
-
-    def test_is_quaternion_false_for_real(self):
-        import spectrochempy as scp
-
-        ds = scp.NDDataset([1.0, 2.0, 3.0])
-        assert ds.hyper.is_quaternion is False
-
-    def test_set_quaternion_creates_quaternion_dtype(self):
-        import spectrochempy as scp
-
-        ds = scp.NDDataset([1.0, 2.0, 3.0, 4.0])
-        result = ds.hyper.set_quaternion()
-        # After conversion, the data should have a quaternion dtype
-        assert result._data.dtype.name == "quaternion"
-
-    def test_component_real_data_noop(self):
-        import spectrochempy as scp
-
-        ds = scp.NDDataset([1.0, 2.0, 3.0])
-        # For real data, get_component returns the array unchanged
-        result = ds.hyper.component("RR")
-        assert result is not None
-
-    def test_RR_RI_IR_II_raise_for_real(self):
-        import spectrochempy as scp
-
-        ds = scp.NDDataset([1.0, 2.0, 3.0])
-        for prop in ["RR", "RI", "IR", "II"]:
-            with pytest.raises(TypeError):
-                getattr(ds.hyper, prop)
-
-
-class TestNDMathHandlers:
-    def test_handler_registration(self):
-        from spectrochempy.plugins import manager
-
-        registry = manager.plugin_manager.registry
-        assert registry.get_handler("ndmath.execution_branch") is not None
-        assert registry.get_handler("ndmath.execute") is not None