essdiffraction 26.3.0__tar.gz → 26.4.0__tar.gz

{essdiffraction-26.3.0/src/essdiffraction.egg-info → essdiffraction-26.4.0}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: essdiffraction
-Version: 26.3.0
+Version: 26.4.0
 Summary: Diffraction data reduction for the European Spallation Source
 Author: Scipp contributors
 License-Expression: BSD-3-Clause
@@ -21,14 +21,14 @@ Requires-Python: >=3.11
 Description-Content-Type: text/markdown
 License-File: LICENSE
 Requires-Dist: dask>=2022.1.0
-Requires-Dist: essreduce>=26.2.1
+Requires-Dist: essreduce>=26.4.0
 Requires-Dist: graphviz
 Requires-Dist: numpy>=2
 Requires-Dist: plopp>=26.2.0
 Requires-Dist: pythreejs>=2.4.1
 Requires-Dist: sciline>=25.04.1
 Requires-Dist: scipp>=25.11.0
-Requires-Dist: scippneutron>=25.02.0
+Requires-Dist: scippneutron>=26.3.0
 Requires-Dist: scippnexus>=23.12.0
 Requires-Dist: tof>=25.12.0
 Requires-Dist: ncrystal[cif]>=4.1.0

{essdiffraction-26.3.0 → essdiffraction-26.4.0}/docs/api-reference/index.md

@@ -37,6 +37,7 @@
    grouping
    logging
    masking
+   peaks
    smoothing
    transform
    types

{essdiffraction-26.3.0 → essdiffraction-26.4.0}/docs/user-guide/dream/dream-advanced-powder-reduction.ipynb

@@ -628,7 +628,7 @@
    "name": "python",
    "nbconvert_exporter": "python",
    "pygments_lexer": "ipython3",
-   "version": "3.10.14"
+   "version": "3.12.12"
   }
  },
  "nbformat": 4,

essdiffraction-26.3.0/docs/user-guide/dream/dream-make-tof-lookup-table.ipynb → essdiffraction-26.4.0/docs/user-guide/dream/dream-make-wavelength-lookup-table.ipynb

@@ -5,9 +5,9 @@
    "id": "0",
    "metadata": {},
    "source": [
-    "# Create a time-of-flight lookup table for DREAM\n",
+    "# Create a wavelength lookup table for DREAM\n",
     "\n",
-    "This notebook shows how to create a time-of-flight lookup table for the DREAM instrument."
+    "This notebook shows how to create a wavelength lookup table for the DREAM instrument."
    ]
   },
   {
@@ -18,7 +18,7 @@
    "outputs": [],
    "source": [
     "import scipp as sc\n",
-    "from ess.reduce import time_of_flight\n",
+    "from ess.reduce import unwrap\n",
     "from ess.reduce.nexus.types import AnyRun\n",
     "from ess.dream.beamline import InstrumentConfiguration, choppers"
    ]
@@ -40,7 +40,7 @@
    "metadata": {},
    "outputs": [],
    "source": [
-    "disk_choppers = choppers(InstrumentConfiguration.high_flux_BC215)"
+    "disk_choppers = choppers(InstrumentConfiguration.high_flux_BC240)"
    ]
   },
   {
@@ -60,17 +60,17 @@
    "metadata": {},
    "outputs": [],
    "source": [
-    "wf = time_of_flight.TofLookupTableWorkflow()\n",
+    "wf = unwrap.LookupTableWorkflow()\n",
     "\n",
-    "wf[time_of_flight.LtotalRange] = sc.scalar(5.0, unit=\"m\"), sc.scalar(80.0, unit=\"m\")\n",
-    "wf[time_of_flight.NumberOfSimulatedNeutrons] = 200_000  # Increase this number for more reliable results\n",
-    "wf[time_of_flight.SourcePosition] = sc.vector([0, 0, 0], unit='m')\n",
-    "wf[time_of_flight.DiskChoppers[AnyRun]] = disk_choppers\n",
-    "wf[time_of_flight.DistanceResolution] = sc.scalar(0.1, unit=\"m\")\n",
-    "wf[time_of_flight.TimeResolution] = sc.scalar(250.0, unit='us')\n",
-    "wf[time_of_flight.PulsePeriod] = 1.0 / sc.scalar(14.0, unit=\"Hz\")\n",
-    "wf[time_of_flight.PulseStride] = 1\n",
-    "wf[time_of_flight.PulseStrideOffset] = None"
+    "wf[unwrap.LtotalRange] = sc.scalar(5.0, unit=\"m\"), sc.scalar(80.0, unit=\"m\")\n",
+    "wf[unwrap.NumberOfSimulatedNeutrons] = 200_000  # Increase this number for more reliable results\n",
+    "wf[unwrap.SourcePosition] = sc.vector([0, 0, 0], unit='m')\n",
+    "wf[unwrap.DiskChoppers[AnyRun]] = disk_choppers\n",
+    "wf[unwrap.DistanceResolution] = sc.scalar(0.1, unit=\"m\")\n",
+    "wf[unwrap.TimeResolution] = sc.scalar(250.0, unit='us')\n",
+    "wf[unwrap.PulsePeriod] = 1.0 / sc.scalar(14.0, unit=\"Hz\")\n",
+    "wf[unwrap.PulseStride] = 1\n",
+    "wf[unwrap.PulseStrideOffset] = None"
    ]
   },
   {
@@ -88,7 +88,7 @@
    "metadata": {},
    "outputs": [],
    "source": [
-    "table = wf.compute(time_of_flight.TimeOfFlightLookupTable)\n",
+    "table = wf.compute(unwrap.LookupTable)\n",
     "table.array"
    ]
   },
@@ -117,7 +117,7 @@
    "metadata": {},
    "outputs": [],
    "source": [
-    "table.save_hdf5('DREAM-high-flux-tof-lut-5m-80m.h5')"
+    "table.save_hdf5('DREAM-high-flux-wavelength-lut-5m-80m-bc240.h5')"
    ]
   }
  ],

{essdiffraction-26.3.0 → essdiffraction-26.4.0}/docs/user-guide/dream/dream-powder-reduction.ipynb

@@ -145,9 +145,7 @@
    "outputs": [],
    "source": [
     "histogram = intensity.hist()\n",
-    "fig = histogram.plot(title=intensity.coords['detector'].value.capitalize())\n",
-    "fig.ax.set_ylabel(f\"I(d) [{histogram.unit}]\")\n",
-    "fig"
+    "histogram.plot(title=intensity.coords['detector'].value.capitalize(), ylabel=f\"I(d) [{histogram.unit}]\")"
    ]
   },
   {

{essdiffraction-26.3.0 → essdiffraction-26.4.0}/docs/user-guide/dream/index.md

@@ -54,5 +54,5 @@ dream-instrument-view
 workflow-widget-dream
 dream-detector-diagnostics
 dream-visualize-absorption
-dream-make-tof-lookup-table
+dream-make-wavelength-lookup-table
 ```

{essdiffraction-26.3.0 → essdiffraction-26.4.0}/docs/user-guide/sns-instruments/POWGEN_data_reduction.ipynb

@@ -239,7 +239,7 @@
    "source": [
     "results = workflow.compute(\n",
     "    (\n",
-    "        TofDetector[SampleRun],\n",
+    "        WavelengthDetector[SampleRun],\n",
     "        CorrectedDetector[SampleRun],\n",
     "    )\n",
     ")"
@@ -252,7 +252,7 @@
    "metadata": {},
    "outputs": [],
    "source": [
-    "results[TofDetector[SampleRun]]"
+    "results[WavelengthDetector[SampleRun]]"
    ]
   },
   {
@@ -377,7 +377,8 @@
    "mimetype": "text/x-python",
    "name": "python",
    "nbconvert_exporter": "python",
-   "pygments_lexer": "ipython3"
+   "pygments_lexer": "ipython3",
+   "version": "3.12.12"
   }
  },
  "nbformat": 4,

{essdiffraction-26.3.0 → essdiffraction-26.4.0}/pyproject.toml

@@ -31,14 +31,14 @@ requires-python = ">=3.11"
 # Make sure to list one dependency per line.
 dependencies = [
   "dask>=2022.1.0",
-  "essreduce>=26.2.1",
+  "essreduce>=26.4.0",
   "graphviz",
   "numpy>=2",
   "plopp>=26.2.0",
   "pythreejs>=2.4.1",
   "sciline>=25.04.1",
   "scipp>=25.11.0",
-  "scippneutron>=25.02.0",
+  "scippneutron>=26.3.0",
   "scippnexus>=23.12.0",
   "tof>=25.12.0",
   "ncrystal[cif]>=4.1.0",

{essdiffraction-26.3.0 → essdiffraction-26.4.0}/requirements/base.in

@@ -3,15 +3,15 @@
 # --- END OF CUSTOM SECTION ---
 # The following was generated by 'tox -e deps', DO NOT EDIT MANUALLY!
 dask>=2022.1.0
-essreduce>=26.2.1
+essreduce>=26.4.0
 graphviz
 numpy>=2
 plopp>=26.2.0
 pythreejs>=2.4.1
 sciline>=25.04.1
 scipp>=25.11.0
-scippneutron>=25.02.0
+scippneutron>=26.3.0
 scippnexus>=23.12.0
-tof>=25.11.1
+tof>=25.12.0
 ncrystal[cif]>=4.1.0
 spglib!=2.7

{essdiffraction-26.3.0 → essdiffraction-26.4.0}/requirements/base.txt

@@ -1,4 +1,4 @@
-# SHA1:e8dc8a7c4338f6f02931f7cf0dd2408d0d0351db
+# SHA1:d9fbbf694f7784dc50f913e8e6d0bcc452239f7a
 #
 # This file was generated by pip-compile-multi.
 # To update, run:
@@ -7,13 +7,13 @@
 #
 annotated-types==0.7.0
     # via pydantic
-ase==3.27.0
+ase==3.28.0
     # via ncrystal
 asttokens==3.0.1
     # via stack-data
-certifi==2026.1.4
+certifi==2026.2.25
     # via requests
-charset-normalizer==3.4.4
+charset-normalizer==3.4.6
     # via requests
 click==8.3.1
     # via dask
@@ -27,7 +27,7 @@ cyclebane==24.10.0
     # via sciline
 cycler==0.12.1
     # via matplotlib
-dask==2026.1.2
+dask==2026.3.0
     # via -r base.in
 decorator==5.2.1
     # via ipython
@@ -35,19 +35,19 @@ dnspython==2.8.0
     # via email-validator
 email-validator==2.3.0
     # via scippneutron
-essreduce==26.2.1
+essreduce==26.4.0
     # via -r base.in
 executing==2.2.1
     # via stack-data
-fonttools==4.61.1
+fonttools==4.62.1
     # via matplotlib
 fsspec==2026.2.0
     # via dask
-gemmi==0.7.4
+gemmi==0.7.5
     # via ncrystal
 graphviz==0.21
     # via -r base.in
-h5py==3.15.1
+h5py==3.16.0
     # via
     #   scippneutron
     #   scippnexus
@@ -55,7 +55,7 @@ idna==3.11
     # via
     #   email-validator
     #   requests
-importlib-metadata==8.7.1
+importlib-metadata==9.0.0
     # via dask
 ipydatawidgets==4.3.5
     # via pythreejs
@@ -71,9 +71,9 @@ jedi==0.19.2
     # via ipython
 jupyterlab-widgets==3.0.16
     # via ipywidgets
-kiwisolver==1.4.9
+kiwisolver==1.5.0
     # via matplotlib
-lazy-loader==0.4
+lazy-loader==0.5
     # via
     #   plopp
     #   scippneutron
@@ -87,7 +87,7 @@ matplotlib==3.10.8
     #   plopp
 matplotlib-inline==0.2.1
     # via ipython
-mpltoolbox==25.10.0
+mpltoolbox==26.2.0
     # via scippneutron
 ncrystal[cif]==4.2.12
     # via -r base.in
@@ -97,7 +97,7 @@ ncrystal-python==4.2.12
     # via ncrystal
 networkx==3.6.1
     # via cyclebane
-numpy==2.4.2
+numpy==2.4.3
     # via
     #   -r base.in
     #   ase
@@ -125,9 +125,9 @@ pexpect==4.9.0
     # via ipython
 pillow==12.1.1
     # via matplotlib
-platformdirs==4.5.1
+platformdirs==4.9.4
     # via pooch
-plopp==26.2.0
+plopp==26.3.1
     # via
     #   -r base.in
     #   scippneutron
@@ -164,14 +164,14 @@ sciline==25.11.1
     # via
     #   -r base.in
     #   essreduce
-scipp==26.2.0
+scipp==26.3.1
     # via
     #   -r base.in
     #   essreduce
     #   scippneutron
     #   scippnexus
     #   tof
-scippneutron==25.11.2
+scippneutron==26.3.0
     # via
     #   -r base.in
     #   essreduce
@@ -180,7 +180,7 @@ scippnexus==26.1.1
     #   -r base.in
     #   essreduce
     #   scippneutron
-scipy==1.17.0
+scipy==1.17.1
     # via
     #   ase
     #   scippneutron
@@ -193,7 +193,7 @@ spglib==2.6.0
     #   ncrystal
 stack-data==0.6.3
     # via ipython
-tof==26.1.0
+tof==26.3.0
     # via -r base.in
 toolz==1.1.0
     # via

{essdiffraction-26.3.0 → essdiffraction-26.4.0}/requirements/basetest.txt

@@ -7,9 +7,9 @@
 #
 asttokens==3.0.1
     # via stack-data
-certifi==2026.1.4
+certifi==2026.2.25
     # via requests
-charset-normalizer==3.4.4
+charset-normalizer==3.4.6
     # via requests
 comm==0.2.3
     # via ipywidgets
@@ -33,19 +33,19 @@ jupyterlab-widgets==3.0.16
     # via ipywidgets
 matplotlib-inline==0.2.1
     # via ipython
-numpy==2.4.2
+numpy==2.4.3
     # via pandas
 packaging==26.0
     # via
     #   pooch
     #   pytest
-pandas==3.0.0
+pandas==3.0.1
     # via -r basetest.in
 parso==0.8.6
     # via jedi
 pexpect==4.9.0
     # via ipython
-platformdirs==4.5.1
+platformdirs==4.9.4
     # via pooch
 pluggy==1.6.0
     # via pytest

{essdiffraction-26.3.0 → essdiffraction-26.4.0}/requirements/ci.txt

@@ -5,20 +5,19 @@
 #
 #    requirements upgrade
 #
-cachetools==7.0.1
+cachetools==7.0.5
     # via tox
-certifi==2026.1.4
+certifi==2026.2.25
     # via requests
-chardet==5.2.0
-    # via tox
-charset-normalizer==3.4.4
+charset-normalizer==3.4.6
     # via requests
 colorama==0.4.6
     # via tox
 distlib==0.4.0
     # via virtualenv
-filelock==3.20.3
+filelock==3.25.2
     # via
+    #   python-discovery
     #   tox
     #   virtualenv
 gitdb==4.0.12
@@ -32,21 +31,26 @@ packaging==26.0
     #   -r ci.in
     #   pyproject-api
     #   tox
-platformdirs==4.5.1
+platformdirs==4.9.4
     # via
+    #   python-discovery
     #   tox
     #   virtualenv
 pluggy==1.6.0
     # via tox
 pyproject-api==1.10.0
     # via tox
+python-discovery==1.2.0
+    # via virtualenv
 requests==2.32.5
     # via -r ci.in
-smmap==5.0.2
+smmap==5.0.3
     # via gitdb
-tox==4.34.1
+tomli-w==1.2.0
+    # via tox
+tox==4.50.3
     # via -r ci.in
 urllib3==2.6.3
     # via requests
-virtualenv==20.36.1
+virtualenv==21.2.0
     # via tox

{essdiffraction-26.3.0 → essdiffraction-26.4.0}/requirements/dev.txt

@@ -12,7 +12,7 @@
 -r static.txt
 -r test.txt
 -r wheels.txt
-anyio==4.12.1
+anyio==4.13.0
     # via
     #   httpx
     #   jupyter-server
@@ -22,13 +22,13 @@ argon2-cffi-bindings==25.1.0
     # via argon2-cffi
 arrow==1.4.0
     # via isoduration
-async-lru==2.1.0
+async-lru==2.3.0
     # via jupyterlab
 cffi==2.0.0
     # via argon2-cffi-bindings
-copier==9.11.3
+copier==9.14.0
     # via -r dev.in
-dunamai==1.25.0
+dunamai==1.26.0
     # via copier
 fqdn==1.5.1
     # via jsonschema
@@ -46,7 +46,7 @@ jinja2-ansible-filters==1.3.2
     # via copier
 json5==0.13.0
     # via jupyterlab-server
-jsonpointer==3.0.0
+jsonpointer==3.1.1
     # via jsonschema
 jsonschema[format-nongpl]==4.26.0
     # via
@@ -65,7 +65,7 @@ jupyter-server==2.17.0
     #   notebook-shim
 jupyter-server-terminals==0.5.4
     # via jupyter-server
-jupyterlab==4.5.4
+jupyterlab==4.5.6
     # via -r dev.in
 jupyterlab-server==2.28.0
     # via jupyterlab

{essdiffraction-26.3.0 → essdiffraction-26.4.0}/requirements/docs.txt

@@ -10,7 +10,7 @@ accessible-pygments==0.0.5
     # via pydata-sphinx-theme
 alabaster==1.0.0
     # via sphinx
-attrs==25.4.0
+attrs==26.1.0
     # via
     #   jsonschema
     #   referencing
@@ -40,7 +40,7 @@ docutils==0.22.4
     #   sphinxcontrib-bibtex
 fastjsonschema==2.21.2
     # via nbformat
-imagesize==1.4.1
+imagesize==2.0.0
     # via sphinx
 ipykernel==7.2.0
     # via -r docs.in
@@ -100,13 +100,13 @@ nbsphinx==0.9.8
     # via -r docs.in
 nest-asyncio==1.6.0
     # via ipykernel
-pandas==3.0.0
+pandas==3.0.1
     # via -r docs.in
 pandocfilters==1.5.1
     # via nbconvert
 psutil==7.2.2
     # via ipykernel
-pyarrow==23.0.0
+pyarrow==23.0.1
     # via -r docs.in
 pybtex==0.25.1
     # via
@@ -114,11 +114,11 @@ pybtex==0.25.1
     #   sphinxcontrib-bibtex
 pybtex-docutils==1.0.3
     # via sphinxcontrib-bibtex
-pydantic-settings==2.12.0
+pydantic-settings==2.13.1
     # via autodoc-pydantic
 pydata-sphinx-theme==0.16.1
     # via -r docs.in
-python-dotenv==1.2.1
+python-dotenv==1.2.2
     # via pydantic-settings
 pyzmq==27.1.0
     # via
@@ -171,7 +171,7 @@ sphinxcontrib-serializinghtml==2.0.0
     # via sphinx
 tinycss2==1.4.0
     # via bleach
-tornado==6.5.4
+tornado==6.5.5
     # via
     #   ipykernel
     #   jupyter-client

{essdiffraction-26.3.0 → essdiffraction-26.4.0}/requirements/mypy.txt

@@ -6,7 +6,7 @@
 #    requirements upgrade
 #
 -r test.txt
-librt==0.7.8
+librt==0.8.1
     # via mypy
 mypy==1.19.1
     # via -r mypy.in

{essdiffraction-26.3.0 → essdiffraction-26.4.0}/requirements/nightly.txt

@@ -10,13 +10,13 @@
 
 annotated-types==0.7.0
     # via pydantic
-ase==3.27.0
+ase==3.28.0
     # via ncrystal
 asttokens==3.0.1
     # via stack-data
-certifi==2026.1.4
+certifi==2026.2.25
     # via requests
-charset-normalizer==3.4.4
+charset-normalizer==3.4.6
     # via requests
 click==8.3.1
     # via dask
@@ -30,7 +30,7 @@ cyclebane==24.10.0
     # via sciline
 cycler==0.12.1
     # via matplotlib
-dask==2026.1.2
+dask==2026.3.0
     # via -r nightly.in
 decorator==5.2.1
     # via ipython
@@ -42,15 +42,15 @@ essreduce @ git+https://github.com/scipp/essreduce@main
     # via -r nightly.in
 executing==2.2.1
     # via stack-data
-fonttools==4.61.1
+fonttools==4.62.1
     # via matplotlib
 fsspec==2026.2.0
     # via dask
-gemmi==0.7.4
+gemmi==0.7.5
     # via ncrystal
 graphviz==0.21
     # via -r nightly.in
-h5py==3.15.1
+h5py==3.16.0
     # via
     #   scippneutron
     #   scippnexus
@@ -58,7 +58,7 @@ idna==3.11
     # via
     #   email-validator
     #   requests
-importlib-metadata==8.7.1
+importlib-metadata==9.0.0
     # via dask
 iniconfig==2.3.0
     # via pytest
@@ -77,9 +77,9 @@ jedi==0.19.2
     # via ipython
 jupyterlab-widgets==3.0.16
     # via ipywidgets
-kiwisolver==1.4.10rc0
+kiwisolver==1.5.0
     # via matplotlib
-lazy-loader==0.4
+lazy-loader==0.5
     # via
     #   plopp
     #   scippneutron
@@ -93,7 +93,7 @@ matplotlib==3.10.8
     #   plopp
 matplotlib-inline==0.2.1
     # via ipython
-mpltoolbox==25.10.0
+mpltoolbox==26.2.0
     # via scippneutron
 ncrystal[cif]==4.2.12
     # via -r nightly.in
@@ -103,7 +103,7 @@ ncrystal-python==4.2.12
     # via ncrystal
 networkx==3.6.1
     # via cyclebane
-numpy==2.4.2
+numpy==2.4.3
     # via
     #   -r nightly.in
     #   ase
@@ -125,7 +125,7 @@ packaging==26.0
     #   matplotlib
     #   pooch
     #   pytest
-pandas==3.0.0
+pandas==3.0.1
     # via -r nightly.in
 parso==0.8.6
     # via jedi
@@ -135,7 +135,7 @@ pexpect==4.9.0
     # via ipython
 pillow==12.1.1
     # via matplotlib
-platformdirs==4.5.1
+platformdirs==4.9.4
     # via pooch
 plopp @ git+https://github.com/scipp/plopp@main
     # via
@@ -154,9 +154,9 @@ ptyprocess==0.7.0
     # via pexpect
 pure-eval==0.2.3
     # via stack-data
-pydantic==2.12.5
+pydantic==2.13.0b2
     # via scippneutron
-pydantic-core==2.41.5
+pydantic-core==2.42.0
     # via pydantic
 pygments==2.19.2
     # via
@@ -198,7 +198,7 @@ scippnexus @ git+https://github.com/scipp/scippnexus@main
     #   -r nightly.in
     #   essreduce
     #   scippneutron
-scipy==1.17.0
+scipy==1.17.1
     # via
     #   ase
     #   scippneutron