essreduce 25.5.0__py3-none-any.whl → 25.5.1__py3-none-any.whl

ess/reduce/nexus/types.py

@@ -341,10 +341,3 @@ class Choppers(
     sc.DataGroup[sc.DataGroup[Any]],
 ):
     """All choppers in a NeXus file."""
-
-
-class Analyzers(
-    sciline.Scope[RunType, sc.DataGroup[sc.DataGroup[Any]]],
-    sc.DataGroup[sc.DataGroup[Any]],
-):
-    """All analyzers in a NeXus file."""

ess/reduce/nexus/workflow.py

@@ -19,7 +19,6 @@ from ..utils import prune_type_vars
 from . import _nexus_loader as nexus
 from .types import (
     AllNeXusComponents,
-    Analyzers,
     Beamline,
     CalibratedBeamline,
     CalibratedDetector,
@@ -525,13 +524,6 @@ def parse_disk_choppers(
     )
 
 
-def parse_analyzers(
-    analyzers: AllNeXusComponents[snx.NXcrystal, RunType],
-) -> Analyzers[RunType]:
-    """Convert the NeXus representation of an analyzer to ours."""
-    return Analyzers[RunType](analyzers.apply(nexus.compute_component_position))
-
-
 def _drop(
     children: dict[str, snx.Field | snx.Group], classes: tuple[snx.NXobject, ...]
 ) -> dict[str, snx.Field | snx.Group]:
@@ -628,7 +620,6 @@ _common_providers = (
     nx_class_for_source,
     nx_class_for_sample,
     nx_class_for_disk_chopper,
-    nx_class_for_crystal,
 )
 
 _monitor_providers = (
@@ -647,8 +638,6 @@ _detector_providers = (
 
 _chopper_providers = (parse_disk_choppers,)
 
-_analyzer_providers = (parse_analyzers,)
-
 _metadata_providers = (
     load_beamline_metadata_from_nexus,
     load_measurement_metadata_from_nexus,
@@ -711,7 +700,6 @@ def GenericNeXusWorkflow(
             *_monitor_providers,
             *_detector_providers,
             *_chopper_providers,
-            *_analyzer_providers,
             *_metadata_providers,
         )
     )

ess/reduce/time_of_flight/__init__.py

@@ -29,9 +29,10 @@ from .types import (
     ResampledMonitorTofData,
     SimulationResults,
     TimeOfFlightLookupTable,
+    TimeOfFlightLookupTableFilename,
     TimeResolution,
 )
-from .workflow import GenericTofWorkflow
+from .workflow import GenericTofWorkflow, TofLutProvider
 
 __all__ = [
     "DetectorLtotal",
@@ -49,7 +50,9 @@ __all__ = [
     "ResampledMonitorTofData",
     "SimulationResults",
     "TimeOfFlightLookupTable",
+    "TimeOfFlightLookupTableFilename",
     "TimeResolution",
+    "TofLutProvider",
     "default_parameters",
     "providers",
     "resample_detector_time_of_flight_data",

ess/reduce/time_of_flight/eto_to_tof.py

@@ -12,7 +12,6 @@ from collections.abc import Callable
 import numpy as np
 import scipp as sc
 import scippneutron as scn
-from scipp._scipp.core import _bins_no_validate
 from scippneutron._utils import elem_unit
 
 try:
@@ -532,7 +531,7 @@ def _time_of_flight_data_events(
 
     parts = da.bins.constituents
     parts["data"] = tofs
-    return da.bins.assign_coords(tof=_bins_no_validate(**parts))
+    return da.bins.assign_coords(tof=sc.bins(**parts, validate_indices=False))
 
 
 def detector_ltotal_from_straight_line_approximation(

ess/reduce/time_of_flight/simulation.py

@@ -3,9 +3,11 @@
 from collections.abc import Mapping
 
 import scipp as sc
+import scippnexus as snx
 from scippneutron.chopper import DiskChopper
 
-from .types import SimulationResults
+from ..nexus.types import Choppers, Position, SampleRun
+from .types import NumberOfSimulatedNeutrons, SimulationResults
 
 
 def simulate_beamline(
@@ -82,3 +84,25 @@ def simulate_beamline(
         weight=events.data,
         distance=furthest_chopper.distance,
     )
+
+
+def simulate_chopper_cascade_using_tof(
+    choppers: Choppers[SampleRun],
+    neutrons: NumberOfSimulatedNeutrons,
+    source_position: Position[snx.NXsource, SampleRun],
+) -> SimulationResults:
+    """
+    Simulate neutrons traveling through the chopper cascade using the ``tof`` package.
+
+    Parameters
+    ----------
+    choppers:
+        Chopper settings.
+    neutrons:
+        Number of neutrons to simulate.
+    source_position:
+        Position of the source.
+    """
+    return simulate_beamline(
+        choppers=choppers, neutrons=neutrons, source_position=source_position
+    )

ess/reduce/time_of_flight/types.py

@@ -46,6 +46,12 @@ class SimulationResults:
     distance: sc.Variable
 
 
+NumberOfSimulatedNeutrons = NewType("NumberOfSimulatedNeutrons", int)
+"""
+Number of neutrons simulated in the simulation that is used to create the lookup table.
+This is typically a large number, e.g., 1e6 or 1e7.
+"""
+
 LtotalRange = NewType("LtotalRange", tuple[sc.Variable, sc.Variable])
 """
 Range (min, max) of the total length of the flight path from the source to the detector.
@@ -78,6 +84,10 @@ resolution in the lookup table will be at least the supplied value here, but may
 smaller if the pulse period is not an integer multiple of the time resolution.
 """
 
+TimeOfFlightLookupTableFilename = NewType("TimeOfFlightLookupTableFilename", str)
+"""Filename of the time-of-flight lookup table."""
+
+
 TimeOfFlightLookupTable = NewType("TimeOfFlightLookupTable", sc.DataArray)
 """
 Lookup table giving time-of-flight as a function of distance and time of arrival.

ess/reduce/time_of_flight/workflow.py

@@ -1,18 +1,36 @@
 # SPDX-License-Identifier: BSD-3-Clause
 # Copyright (c) 2025 Scipp contributors (https://github.com/scipp)
 from collections.abc import Iterable
+from enum import Enum, auto
 
 import sciline
+import scipp as sc
 
 from ..nexus import GenericNeXusWorkflow
 from ..utils import prune_type_vars
-from .eto_to_tof import default_parameters, providers
+from . import eto_to_tof, simulation
+from .types import TimeOfFlightLookupTable, TimeOfFlightLookupTableFilename
+
+
+class TofLutProvider(Enum):
+    """Provider for the time-of-flight lookup table."""
+
+    FILE = auto()  # From file
+    TOF = auto()  # Computed with 'tof' package from chopper settings
+    MCSTAS = auto()  # McStas simulation (not implemented yet)
+
+
+def load_tof_lookup_table(
+    filename: TimeOfFlightLookupTableFilename,
+) -> TimeOfFlightLookupTable:
+    return TimeOfFlightLookupTable(sc.io.load_hdf5(filename))
 
 
 def GenericTofWorkflow(
     *,
     run_types: Iterable[sciline.typing.Key] | None = None,
     monitor_types: Iterable[sciline.typing.Key] | None = None,
+    tof_lut_provider: TofLutProvider = TofLutProvider.FILE,
 ) -> sciline.Pipeline:
     """
     Generic workflow for computing the neutron time-of-flight for detector and monitor
@@ -42,6 +60,11 @@ def GenericTofWorkflow(
         List of monitor types to include in the workflow. If not provided, all monitor
         types are included.
         Must be a possible value of :class:`ess.reduce.nexus.types.MonitorType`.
+    tof_lut_provider:
+        Specifies how the time-of-flight lookup table is provided:
+        - FILE: Read from a file
+        - TOF: Computed from chopper settings using the 'tof' package
+        - MCSTAS: From McStas simulation (not implemented yet)
 
     Returns
     -------
@@ -50,9 +73,19 @@ def GenericTofWorkflow(
     """
     wf = GenericNeXusWorkflow(run_types=run_types, monitor_types=monitor_types)
 
-    for provider in providers():
+    for provider in eto_to_tof.providers():
         wf.insert(provider)
-    for key, value in default_parameters().items():
+
+    if tof_lut_provider == TofLutProvider.FILE:
+        wf.insert(load_tof_lookup_table)
+    else:
+        wf.insert(eto_to_tof.compute_tof_lookup_table)
+        if tof_lut_provider == TofLutProvider.TOF:
+            wf.insert(simulation.simulate_chopper_cascade_using_tof)
+        if tof_lut_provider == TofLutProvider.MCSTAS:
+            raise NotImplementedError("McStas simulation not implemented yet")
+
+    for key, value in eto_to_tof.default_parameters().items():
         wf[key] = value
 
     if run_types is not None or monitor_types is not None:

ess/reduce/workflow.py

@@ -53,12 +53,14 @@ def get_typical_outputs(pipeline: Pipeline) -> tuple[Key, ...]:
     if (typical_outputs := getattr(pipeline, "typical_outputs", None)) is None:
         graph = pipeline.underlying_graph
         sink_nodes = [node for node, degree in graph.out_degree if degree == 0]
-        return sorted(_with_pretty_names(sink_nodes))
+        return sorted(_with_pretty_names(sink_nodes), key=lambda x: x[0])
     return _with_pretty_names(typical_outputs)
 
 
 def get_possible_outputs(pipeline: Pipeline) -> tuple[Key, ...]:
-    return sorted(_with_pretty_names(tuple(pipeline.underlying_graph.nodes)))
+    return sorted(
+        _with_pretty_names(tuple(pipeline.underlying_graph.nodes)), key=lambda x: x[0]
+    )
 
 
 def _with_pretty_names(outputs: Sequence[Key]) -> tuple[tuple[str, Key], ...]:

{essreduce-25.5.0.dist-info → essreduce-25.5.1.dist-info}/METADATA

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: essreduce
-Version: 25.5.0
+Version: 25.5.1
 Summary: Common data reduction tools for the ESS facility
 Author: Scipp contributors
 License: BSD 3-Clause License

{essreduce-25.5.0.dist-info → essreduce-25.5.1.dist-info}/RECORD

@@ -7,7 +7,7 @@ ess/reduce/streaming.py,sha256=TBttQV5WdSpUKh38J0pdv53seMWtUFswxd6-ltaZb_M,17403
 ess/reduce/ui.py,sha256=zmorAbDwX1cU3ygDT--OP58o0qU7OBcmJz03jPeYSLA,10884
 ess/reduce/uncertainty.py,sha256=LR4O6ApB6Z-W9gC_XW0ajupl8yFG-du0eee1AX_R-gk,6990
 ess/reduce/utils.py,sha256=RBAfJRNil6JjVF-jPaxeL0ssEEfPBBQEZ3ObEorpDLo,1132
-ess/reduce/workflow.py,sha256=sL34T_2Cjl_8iFlegujxI9VyOUwo6erVC8pOXnfWgYw,3060
+ess/reduce/workflow.py,sha256=738-lcdgsORYfQ4A0UTk2IgnbVxC3jBdpscpaOFIpdc,3114
 ess/reduce/live/__init__.py,sha256=jPQVhihRVNtEDrE20PoKkclKV2aBF1lS7cCHootgFgI,204
 ess/reduce/live/raw.py,sha256=66qV0G2rP8gK5tXuk-syTlDLE2jT3ehfmSnET7Xzfd0,24392
 ess/reduce/live/roi.py,sha256=Hs-pW98k41WU6Kl3UQ41kQawk80c2QNOQ_WNctLzDPE,3795
@@ -16,18 +16,18 @@ ess/reduce/nexus/__init__.py,sha256=59bxKkNYg8DYcSykNvH6nCa5SYchJC4SbgZEKhkNdYc,
 ess/reduce/nexus/_nexus_loader.py,sha256=5N48AMJx1AaFZb6WZPPbVKUlXyFMVVtZrn7Bae57O3A,19842
 ess/reduce/nexus/json_generator.py,sha256=ME2Xn8L7Oi3uHJk9ZZdCRQTRX-OV_wh9-DJn07Alplk,2529
 ess/reduce/nexus/json_nexus.py,sha256=QrVc0p424nZ5dHX9gebAJppTw6lGZq9404P_OFl1giA,10282
-ess/reduce/nexus/types.py,sha256=vTQD4oQ5JKBHAYy9LWFICSo-dhVi3wX5IinMgjRDtF8,9806
-ess/reduce/nexus/workflow.py,sha256=zrBQGNLUxmvqXewe9uNUg9aP43_glfFD6nh5VGAtBK4,23456
+ess/reduce/nexus/types.py,sha256=-pj8PpHu7QJrjrOOQ-VD9QhYh1L92onkX4xtmY3mgXE,9645
+ess/reduce/nexus/workflow.py,sha256=hqK58dsr8KtQn065-PS4Eiyir90qnZ3GQNyNDupOg4I,23084
 ess/reduce/scripts/grow_nexus.py,sha256=hET3h06M0xlJd62E3palNLFvJMyNax2kK4XyJcOhl-I,3387
-ess/reduce/time_of_flight/__init__.py,sha256=v86c3zNTMMqZoR9eHaK0Q-JnzsbOI6XsBGI3mgy2CiU,1469
-ess/reduce/time_of_flight/eto_to_tof.py,sha256=ckXoSrltXdciYwipyUkF-DVtbsz2_XSLZvX2qJ_d8Bs,28238
+ess/reduce/time_of_flight/__init__.py,sha256=UxMvY4aFkhZQmIbGSo4FBpBGRD2wDJbczLMVqcEhCSg,1583
+ess/reduce/time_of_flight/eto_to_tof.py,sha256=JCu7C3AmJnB7GDJrL76oPjgxGesp67nct9xXRp3O8E4,28204
 ess/reduce/time_of_flight/fakes.py,sha256=0gtbSX3ZQilaM4ZP5dMr3fqbnhpyoVsZX2YEb8GgREE,4489
 ess/reduce/time_of_flight/interpolator_numba.py,sha256=wh2YS3j2rOu30v1Ok3xNHcwS7t8eEtZyZvbfXOCtgrQ,3835
 ess/reduce/time_of_flight/interpolator_scipy.py,sha256=_InoAPuMm2qhJKZQBAHOGRFqtvvuQ8TStoN7j_YgS4M,1853
-ess/reduce/time_of_flight/simulation.py,sha256=cIF_nWkLQlcWUCW2_wvWBU2ocg_8CSfOnfkoqdLdUgs,2923
+ess/reduce/time_of_flight/simulation.py,sha256=nJe-pkVvG9V6VdfB0_HyVYQoOSNJSMo_QydCHHW1dqM,3624
 ess/reduce/time_of_flight/to_events.py,sha256=w9mHpnWd3vwN2ouob-GK_1NPrTjCaOzPuC2QuEey-m0,4342
-ess/reduce/time_of_flight/types.py,sha256=xhziZQaCB4XAxvVopHHp2DZSBj7PUt-xgPzEDpni05g,6321
-ess/reduce/time_of_flight/workflow.py,sha256=-g9IyAz7sNrgL-5RZLUTlfjTb2YFej1Xig6GiC7c1bI,2156
+ess/reduce/time_of_flight/types.py,sha256=OQeMYNN7QinXs_HDcoE6kkh_xNcyD0dEJWtnHQy5-uA,6675
+ess/reduce/time_of_flight/workflow.py,sha256=ooSVwbL0hPBBVCfuTsAVaGEENs9P4kDN-FlH42NVzJQ,3427
 ess/reduce/widgets/__init__.py,sha256=SoSHBv8Dc3QXV9HUvPhjSYWMwKTGYZLpsWwsShIO97Q,5325
 ess/reduce/widgets/_base.py,sha256=_wN3FOlXgx_u0c-A_3yyoIH-SdUvDENGgquh9S-h5GI,4852
 ess/reduce/widgets/_binedges_widget.py,sha256=ZCQsGjYHnJr9GFUn7NjoZc1CdsnAzm_fMzyF-fTKKVY,2785
@@ -40,9 +40,9 @@ ess/reduce/widgets/_spinner.py,sha256=2VY4Fhfa7HMXox2O7UbofcdKsYG-AJGrsgGJB85nDX
 ess/reduce/widgets/_string_widget.py,sha256=iPAdfANyXHf-nkfhgkyH6gQDklia0LebLTmwi3m-iYQ,1482
 ess/reduce/widgets/_switchable_widget.py,sha256=fjKz99SKLhIF1BLgGVBSKKn3Lu_jYBwDYGeAjbJY3Q8,2390
 ess/reduce/widgets/_vector_widget.py,sha256=aTaBqCFHZQhrIoX6-sSqFWCPePEW8HQt5kUio8jP1t8,1203
-essreduce-25.5.0.dist-info/licenses/LICENSE,sha256=nVEiume4Qj6jMYfSRjHTM2jtJ4FGu0g-5Sdh7osfEYw,1553
-essreduce-25.5.0.dist-info/METADATA,sha256=yfoZMb19ayIQyCRk5_WPEuvrWGAYApWIs4Wr-69nwO8,3768
-essreduce-25.5.0.dist-info/WHEEL,sha256=0CuiUZ_p9E4cD6NyLD6UG80LBXYyiSYZOKDm5lp32xk,91
-essreduce-25.5.0.dist-info/entry_points.txt,sha256=PMZOIYzCifHMTe4pK3HbhxUwxjFaZizYlLD0td4Isb0,66
-essreduce-25.5.0.dist-info/top_level.txt,sha256=0JxTCgMKPLKtp14wb1-RKisQPQWX7i96innZNvHBr-s,4
-essreduce-25.5.0.dist-info/RECORD,,
+essreduce-25.5.1.dist-info/licenses/LICENSE,sha256=nVEiume4Qj6jMYfSRjHTM2jtJ4FGu0g-5Sdh7osfEYw,1553
+essreduce-25.5.1.dist-info/METADATA,sha256=8VVFEjGw_n02K81UZs5IexKEOuN4IyNfaQybrzKn4j0,3768
+essreduce-25.5.1.dist-info/WHEEL,sha256=DnLRTWE75wApRYVsjgc6wsVswC54sMSJhAEd4xhDpBk,91
+essreduce-25.5.1.dist-info/entry_points.txt,sha256=PMZOIYzCifHMTe4pK3HbhxUwxjFaZizYlLD0td4Isb0,66
+essreduce-25.5.1.dist-info/top_level.txt,sha256=0JxTCgMKPLKtp14wb1-RKisQPQWX7i96innZNvHBr-s,4
+essreduce-25.5.1.dist-info/RECORD,,

{essreduce-25.5.0.dist-info → essreduce-25.5.1.dist-info}/WHEEL

@@ -1,5 +1,5 @@
 Wheel-Version: 1.0
-Generator: setuptools (80.3.1)
+Generator: setuptools (80.4.0)
 Root-Is-Purelib: true
 Tag: py3-none-any