Merge pull request #259 from scipp/diffraction-tofectomy

Tofectomy: workflows without tof

Author: nvaytet

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,

…/dream/dream-make-tof-lookup-table.ipynb …dream-make-wavelength-lookup-table.ipynbdocs/user-guide/dream/dream-make-tof-lookup-table.ipynb renamed to docs/user-guide/dream/dream-make-wavelength-lookup-table.ipynb docs/user-guide/dream/dream-make-tof-lookup-table.ipynb renamed to 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')"
    ]
   }
  ],

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}]\")"
    ]
   },
   {

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,

pyproject.toml

@@ -31,7 +31,7 @@ requires-python = ">=3.11"
 # Make sure to list one dependency per line.
 dependencies = [
   "dask>=2022.1.0",
-  "essreduce>=26.3.1",
+  "essreduce>=26.4.0",
   "graphviz",
   "numpy>=2",
   "plopp>=26.2.0",

requirements/base.in

@@ -3,7 +3,7 @@
 # --- END OF CUSTOM SECTION ---
 # The following was generated by 'tox -e deps', DO NOT EDIT MANUALLY!
 dask>=2022.1.0
-essreduce>=26.3.1
+essreduce>=26.4.0
 graphviz
 numpy>=2
 plopp>=26.2.0

requirements/base.txt

@@ -1,4 +1,4 @@
-# SHA1:81c10bea2bf8b09c721c1bb7b501d35596a04095
+# 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==2026.2.25
     # via requests
-charset-normalizer==3.4.5
+charset-normalizer==3.4.6
     # via requests
 click==8.3.1
     # via dask
@@ -27,19 +27,19 @@ 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
 dnspython==2.8.0
     # via email-validator
 email-validator==2.3.0
     # via scippneutron
-essreduce==26.3.1
+essreduce==26.4.0
     # via -r base.in
 executing==2.2.1
     # via stack-data
-fonttools==4.62.0
+fonttools==4.62.1
     # via matplotlib
 fsspec==2026.2.0
     # via dask
@@ -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
@@ -127,7 +127,7 @@ pillow==12.1.1
     # via matplotlib
 platformdirs==4.9.4
     # via pooch
-plopp==26.3.0
+plopp==26.3.1
     # via
     #   -r base.in
     #   scippneutron
@@ -164,7 +164,7 @@ sciline==25.11.1
     # via
     #   -r base.in
     #   essreduce
-scipp==26.3.0
+scipp==26.3.1
     # via
     #   -r base.in
     #   essreduce
@@ -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

requirements/basetest.txt

@@ -9,7 +9,7 @@ asttokens==3.0.1
     # via stack-data
 certifi==2026.2.25
     # via requests
-charset-normalizer==3.4.5
+charset-normalizer==3.4.6
     # via requests
 comm==0.2.3
     # via ipywidgets

requirements/ci.txt

@@ -5,17 +5,17 @@
 #
 #    requirements upgrade
 #
-cachetools==7.0.4
+cachetools==7.0.5
     # via tox
 certifi==2026.2.25
     # via requests
-charset-normalizer==3.4.5
+charset-normalizer==3.4.6
     # via requests
 colorama==0.4.6
     # via tox
 distlib==0.4.0
     # via virtualenv
-filelock==3.25.0
+filelock==3.25.2
     # via
     #   python-discovery
     #   tox
@@ -40,17 +40,17 @@ pluggy==1.6.0
     # via tox
 pyproject-api==1.10.0
     # via tox
-python-discovery==1.1.1
+python-discovery==1.2.0
     # via virtualenv
 requests==2.32.5
     # via -r ci.in
 smmap==5.0.3
     # via gitdb
 tomli-w==1.2.0
     # via tox
-tox==4.49.0
+tox==4.50.3
     # via -r ci.in
 urllib3==2.6.3
     # via requests
-virtualenv==21.1.0
+virtualenv==21.2.0
     # via tox

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
@@ -22,11 +22,11 @@ argon2-cffi-bindings==25.1.0
     # via argon2-cffi
 arrow==1.4.0
     # via isoduration
-async-lru==2.2.0
+async-lru==2.3.0
     # via jupyterlab
 cffi==2.0.0
     # via argon2-cffi-bindings
-copier==9.13.1
+copier==9.14.0
     # via -r dev.in
 dunamai==1.26.0
     # via copier
@@ -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==4.5.5
+jupyterlab==4.5.6
     # via -r dev.in
 jupyterlab-server==2.28.0
     # via jupyterlab