Move ess.diffraction into ess.powder

docs/api-reference/index.md

@@ -1,44 +1,32 @@
 # API Reference
 
-## Module Attributes
+## ESSpowder
+
+### Module Attributes
 ```{eval-rst}
-.. currentmodule:: ess.diffraction
+.. currentmodule:: ess.powder
 
 .. autosummary::
    :toctree: ../generated/attributes
 
    providers
 ```
 
-## Top-level functions
-
-```{eval-rst}
-.. autosummary::
-   :toctree: ../generated/functions
-   :recursive:
-
-   crop_tof
-   filter_events
-   finalize_histogram
-   group_by_two_theta
-   lowpass
-   merge_all_pixels
-   normalize_by_monitor
-   normalize_by_proton_charge
-   normalize_by_vanadium
-   remove_bad_pulses
-```
-
-## Submodules
+### Submodules
 
 ```{eval-rst}
 .. autosummary::
    :toctree: ../generated/modules
    :template: module-template.rst
    :recursive:
 
-   external.powgen
-   powder
+   conversion
+   correction
+   filtering
+   grouping
+   smoothing
    types
    uncertainty
+
+   external.powgen
 ```

docs/examples/POWGEN_data_reduction.ipynb

@@ -27,9 +27,9 @@
     "import sciline\n",
     "\n",
     "import ess.diffraction\n",
-    "from ess.diffraction import powder\n",
-    "from ess.diffraction.external import powgen\n",
-    "from ess.diffraction.types import *"
+    "from ess import powder\n",
+    "from ess.powder.external import powgen\n",
+    "from ess.powder.types import *"
    ]
   },
   {
@@ -82,7 +82,6 @@
    "outputs": [],
    "source": [
     "providers = [\n",
-    "    *ess.diffraction.providers,\n",
     "    *powder.providers,\n",
     "    *powgen.providers,\n",
     "]\n",
@@ -141,6 +140,69 @@
     "Now we compute the result:"
    ]
   },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "17f4aacf-aedf-4d1d-a7f8-c970eb19d68e",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "%matplotlib widget"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "087ebe52-f246-41bc-94f3-626017d0c9c7",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "d = pipeline.compute(DspacingData[VanadiumRun])"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "03a92ca3-02fe-4a0b-934c-047ba5ddecee",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "edges = sc.geomspace('dspacing', sc.scalar(0.1, unit='Å'), sc.scalar(2.2, unit='Å'), 1000)\n",
+    "h = d.bins.concat().hist(dspacing=2000)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "2617132f-1574-4ab8-be42-bc2d1601698b",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "h.plot()"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "0d3a371d-e69f-4e27-b9b0-39250866948a",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "del h.coords['gd_prtn_chrg']\n",
+    "del h.coords['sample_position']\n",
+    "del h.coords['source_position']"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "df725cc1-4a26-4323-b85f-d43fc5eae067",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "h.save_hdf5('peaked-vanadium-spectrum.h5')"
+   ]
+  },
   {
    "cell_type": "code",
    "execution_count": null,
@@ -308,7 +370,7 @@
    "metadata": {},
    "outputs": [],
    "source": [
-    "from ess.diffraction.grouping import group_by_two_theta, merge_all_pixels\n",
+    "from ess.powder.grouping import group_by_two_theta, merge_all_pixels\n",
     "\n",
     "grouping_providers = list(providers)\n",
     "grouping_providers.remove(merge_all_pixels)\n",

src/ess/diffraction/__init__.py

@@ -7,50 +7,9 @@
 
 import importlib.metadata
 
-from . import uncertainty
-from .correction import (
-    normalize_by_monitor,
-    normalize_by_proton_charge,
-    normalize_by_vanadium,
-)
-from .correction import providers as correction_providers
-from .filtering import crop_tof, filter_events
-from .filtering import providers as filtering_providers
-from .filtering import remove_bad_pulses
-from .grouping import finalize_histogram, group_by_two_theta, merge_all_pixels
-from .grouping import providers as grouping_providers
-from .smoothing import lowpass
-
 try:
     __version__ = importlib.metadata.version(__package__ or __name__)
 except importlib.metadata.PackageNotFoundError:
     __version__ = "0.0.0"
 
 del importlib
-
-providers = (
-    *correction_providers,
-    *filtering_providers,
-    *grouping_providers,
-    *uncertainty.providers,
-)
-"""Sciline providers for setting up a diffraction pipeline.
-
-These implement basic diffraction data-reduction functionality and need to be
-extended with instrument-specific and sub-technique-specific providers.
-"""
-del correction_providers, filtering_providers, grouping_providers
-
-__all__ = [
-    'crop_tof',
-    'filter_events',
-    'finalize_histogram',
-    'group_by_two_theta',
-    'lowpass',
-    'merge_all_pixels',
-    'normalize_by_monitor',
-    'normalize_by_proton_charge',
-    'normalize_by_vanadium',
-    'remove_bad_pulses',
-    'uncertainty',
-]

src/ess/powder/__init__.py

@@ -0,0 +1,25 @@
+# SPDX-License-Identifier: BSD-3-Clause
+# Copyright (c) 2023 Scipp contributors (https://github.com/scipp)
+# flake8: noqa: F401
+"""
+Components for powder diffraction experiments.
+"""
+import importlib.metadata
+
+from . import conversion, correction, filtering, grouping, smoothing, uncertainty
+
+try:
+    __version__ = importlib.metadata.version(__package__ or __name__)
+except importlib.metadata.PackageNotFoundError:
+    __version__ = "0.0.0"
+
+del importlib
+
+providers = (
+    *conversion.providers,
+    *correction.providers,
+    *filtering.providers,
+    *grouping.providers,
+    *uncertainty.providers,
+)
+"""Sciline providers for powder diffraction."""