Tofectomy: workflows without tof

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,

docs/user-guide/dream/dream-make-tof-lookup-table.ipynb → 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

@@ -56,7 +56,7 @@
    "metadata": {},
    "outputs": [],
    "source": [
-    "workflow = dream.DreamGeant4Workflow(\n",
+    "wf = dream.DreamGeant4Workflow(\n",
     "    run_norm=powder.RunNormalization.monitor_histogram,\n",
     ")"
    ]
@@ -77,26 +77,26 @@
    "metadata": {},
    "outputs": [],
    "source": [
-    "workflow[Filename[SampleRun]] = dream.data.simulated_diamond_sample()\n",
-    "workflow[Filename[VanadiumRun]] = dream.data.simulated_vanadium_sample()\n",
-    "workflow[Filename[EmptyCanRun]] = dream.data.simulated_empty_can()\n",
-    "workflow[CalibrationFilename] = None\n",
+    "wf[Filename[SampleRun]] = dream.data.simulated_diamond_sample()\n",
+    "wf[Filename[VanadiumRun]] = dream.data.simulated_vanadium_sample()\n",
+    "wf[Filename[EmptyCanRun]] = dream.data.simulated_empty_can()\n",
+    "wf[CalibrationFilename] = None\n",
     "\n",
-    "workflow[MonitorFilename[SampleRun]] = dream.data.simulated_monitor_diamond_sample()\n",
-    "workflow[MonitorFilename[VanadiumRun]] = dream.data.simulated_monitor_vanadium_sample()\n",
-    "workflow[MonitorFilename[EmptyCanRun]] = dream.data.simulated_monitor_empty_can()\n",
-    "workflow[CaveMonitorPosition] = sc.vector([0.0, 0.0, -4220.0], unit=\"mm\")\n",
+    "wf[MonitorFilename[SampleRun]] = dream.data.simulated_monitor_diamond_sample()\n",
+    "wf[MonitorFilename[VanadiumRun]] = dream.data.simulated_monitor_vanadium_sample()\n",
+    "wf[MonitorFilename[EmptyCanRun]] = dream.data.simulated_monitor_empty_can()\n",
+    "wf[CaveMonitorPosition] = sc.vector([0.0, 0.0, -4220.0], unit=\"mm\")\n",
     "\n",
-    "workflow[dream.InstrumentConfiguration] = dream.InstrumentConfiguration.high_flux_BC215\n",
+    "wf[dream.InstrumentConfiguration] = dream.InstrumentConfiguration.high_flux_BC215\n",
     "# Select a detector bank:\n",
-    "workflow[NeXusDetectorName] = \"mantle\"\n",
+    "wf[NeXusDetectorName] = \"mantle\"\n",
     "# We drop uncertainties where they would otherwise lead to correlations:\n",
-    "workflow[UncertaintyBroadcastMode] = UncertaintyBroadcastMode.drop\n",
+    "wf[UncertaintyBroadcastMode] = UncertaintyBroadcastMode.drop\n",
     "# Edges for binning in d-spacing:\n",
-    "workflow[DspacingBins] = sc.linspace(\"dspacing\", 0.3, 2.3434, 201, unit=\"angstrom\")\n",
+    "wf[DspacingBins] = sc.linspace(\"dspacing\", 0.3, 2.3434, 201, unit=\"angstrom\")\n",
     "\n",
     "# Do not mask any pixels / voxels:\n",
-    "workflow = powder.with_pixel_mask_filenames(workflow, [])"
+    "wf = powder.with_pixel_mask_filenames(wf, [])"
    ]
   },
   {
@@ -121,7 +121,7 @@
    "metadata": {},
    "outputs": [],
    "source": [
-    "results = workflow.compute([\n",
+    "results = wf.compute([\n",
     "    EmptyCanSubtractedIofDspacing,\n",
     "    ReducedEmptyCanSubtractedTofCIF\n",
     "])\n",
@@ -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}]\")"
    ]
   },
   {
@@ -229,7 +227,7 @@
    "name": "python",
    "nbconvert_exporter": "python",
    "pygments_lexer": "ipython3",
-   "version": "3.11.10"
+   "version": "3.12.12"
   }
  },
  "nbformat": 4,

src/ess/beer/types.py

@@ -14,7 +14,6 @@
 import scipp as sc
 
 from ess.reduce.nexus.types import Filename, RawDetector, RunType, SampleRun
-from ess.reduce.time_of_flight.types import TofDetector
 
 
 class StreakClusteredData(sciline.Scope[RunType, sc.DataArray], sc.DataArray):
@@ -24,7 +23,6 @@ class StreakClusteredData(sciline.Scope[RunType, sc.DataArray], sc.DataArray):
 RawDetector = RawDetector
 Filename = Filename
 SampleRun = SampleRun
-TofDetector = TofDetector
 
 
 class DetectorBank(Enum):
@@ -58,3 +56,9 @@ class DetectorBank(Enum):
 
 CIFPeaksMinIntensity = NewType("CIFPeaksMinIntensity", sc.Variable)
 """Minimum peak intensity for peaks from CIF file to be included in :py:`DHKLList`."""
+
+
+class TofDetector(sciline.Scope[RunType, sc.DataArray], sc.DataArray):
+    """
+    Detector with a time-of-flight coordinate
+    """

src/ess/dream/data.py

@@ -40,6 +40,9 @@
         # `shrink_nexus.py` script in the `tools` folder at the top level of the
         # `essdiffraction` repository.
         "TEST_DREAM_nexus_sorted-2023-12-07.nxs": "md5:599b426a93c46a7b4b09a874bf288c53",  # noqa: E501
+        # Wavelength lookup tables
+        "DREAM-high-flux-wavelength-lut-5m-80m-bc215.h5": "md5:10c80c9de311cfa246f7b2c165eb0b49",  # noqa: E501
+        "DREAM-high-flux-wavelength-lut-5m-80m-bc240.h5": "md5:9741176f8da9b34c2a15967a43e21462",  # noqa: E501
     },
 )
 
@@ -293,3 +296,36 @@ def tof_lookup_table_high_flux(bc: Literal[215, 240] = 215) -> Path:
             return get_path("DREAM-high-flux-tof-lut-5m-80m-bc240.h5")
         case _:
             raise ValueError(f"Unsupported band-control chopper (BC) value: {bc}")
+
+
+def lookup_table_high_flux(bc: Literal[215, 240] = 215) -> Path:
+    """Path to a HDF5 file containing a wavelength lookup table for high-flux mode.
+
+    The table was created using the ``tof`` package and the chopper settings for the
+    DREAM instrument in high-resolution mode.
+    Can return tables for two different band-control chopper (BC) settings:
+    - ``bc=215``: corresponds to the settings of the choppers in the tutorial data.
+    - ``bc=240``: a setting with less time overlap between frames.
+
+    Note that the phase of the band-control chopper (BCC) was set to 215 degrees in the
+    Geant4 simulation which generated the data used in the documentation notebooks.
+    This has since been found to be non-optimal as it leads to time overlap between the
+    two frames, and a value of 240 degrees is now recommended.
+
+    This table was computed using `Create a wavelength lookup table for DREAM
+    <../../user-guide/dream/dream-make-wavelength-lookup-table.rst>`_
+    with ``NumberOfSimulatedNeutrons = 5_000_000``.
+
+    Parameters
+    ----------
+    bc:
+        Band-control chopper (BC) setting. The default is 215, which corresponds to the
+        settings of the choppers in the tutorial data.
+    """
+    match bc:
+        case 215:
+            return get_path("DREAM-high-flux-wavelength-lut-5m-80m-bc215.h5")
+        case 240:
+            return get_path("DREAM-high-flux-wavelength-lut-5m-80m-bc240.h5")
+        case _:
+            raise ValueError(f"Unsupported band-control chopper (BC) value: {bc}")

src/ess/dream/workflows.py

@@ -18,21 +18,21 @@
     CaveMonitorPosition,  # Should this be a DREAM-only parameter?
     EmptyCanRun,
     KeepEvents,
+    LookupTableFilename,
     LookupTableRelativeErrorThreshold,
     Measurement,
     PixelMaskFilename,
     Position,
     ReducerSoftware,
     SampleRun,
-    TimeOfFlightLookupTableFilename,
     TofMask,
     TwoThetaMask,
     VanadiumRun,
     WavelengthMask,
 )
 from ess.reduce.nexus.types import DetectorBankSizes, NeXusName
 from ess.reduce.parameter import parameter_mappers
-from ess.reduce.time_of_flight import GenericTofWorkflow
+from ess.reduce.unwrap import GenericUnwrapWorkflow
 from ess.reduce.workflow import register_workflow
 
 from .beamline import InstrumentConfiguration
@@ -73,24 +73,24 @@
 
 def _get_lookup_table_filename_from_configuration(
     configuration: InstrumentConfiguration,
-) -> TimeOfFlightLookupTableFilename:
-    from .data import tof_lookup_table_high_flux
+) -> LookupTableFilename:
+    from .data import lookup_table_high_flux
 
     match configuration:
         case InstrumentConfiguration.high_flux_BC215:
-            out = tof_lookup_table_high_flux(bc=215)
+            out = lookup_table_high_flux(bc=215)
         case InstrumentConfiguration.high_flux_BC240:
-            out = tof_lookup_table_high_flux(bc=240)
+            out = lookup_table_high_flux(bc=240)
         case InstrumentConfiguration.high_resolution:
             raise NotImplementedError("High resolution configuration not yet supported")
 
-    return TimeOfFlightLookupTableFilename(out)
+    return LookupTableFilename(out)
 
 
 def _collect_reducer_software() -> ReducerSoftware:
     return ReducerSoftware(
         [
-            Software.from_package_metadata('essdiffraction'),
+            # Software.from_package_metadata('essdiffraction'),
             Software.from_package_metadata('scippneutron'),
             Software.from_package_metadata('scipp'),
         ]
@@ -100,7 +100,7 @@ def _collect_reducer_software() -> ReducerSoftware:
 def DreamWorkflow(**kwargs) -> sciline.Pipeline:
     """
     Dream generic workflow with default parameters.
-    The workflow is based on the GenericTofWorkflow.
+    The workflow is based on the GenericUnwrapWorkflow.
     It can load data from a NeXus file recorded on the DREAM instrument, and can
     compute time-of-flight for the neutron events.
 
@@ -111,9 +111,9 @@ def DreamWorkflow(**kwargs) -> sciline.Pipeline:
     ----------
     kwargs:
         Additional keyword arguments are forwarded to the base
-        :func:`GenericTofWorkflow`.
+        :func:`GenericUnwrapWorkflow`.
     """
-    wf = GenericTofWorkflow(
+    wf = GenericUnwrapWorkflow(
         run_types=[SampleRun, VanadiumRun, EmptyCanRun],
         monitor_types=[BunkerMonitor, CaveMonitor],
         **kwargs,