essreduce 25.2.2__tar.gz → 25.2.4__tar.gz

{essreduce-25.2.2/src/essreduce.egg-info → essreduce-25.2.4}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.2
 Name: essreduce
-Version: 25.2.2
+Version: 25.2.4
 Summary: Common data reduction tools for the ESS facility
 Author: Scipp contributors
 License: BSD 3-Clause License
@@ -53,7 +53,7 @@ Description-Content-Type: text/markdown
 License-File: LICENSE
 Requires-Dist: sciline>=24.06.2
 Requires-Dist: scipp>=25.01.0
-Requires-Dist: scippneutron>=24.11.0
+Requires-Dist: scippneutron>=25.02.0
 Requires-Dist: scippnexus>=24.11.0
 Provides-Extra: test
 Requires-Dist: ipywidgets; extra == "test"

{essreduce-25.2.2 → essreduce-25.2.4}/docs/user-guide/tof/dream.ipynb

@@ -290,6 +290,7 @@
     "    time_of_flight.providers(), params=time_of_flight.default_parameters()\n",
     ")\n",
     "workflow[time_of_flight.RawData] = raw_data\n",
+    "workflow[time_of_flight.Ltotal] = Ltotal\n",
     "workflow[time_of_flight.LtotalRange] = (\n",
     "    sc.scalar(75.5, unit=\"m\"),\n",
     "    sc.scalar(78.0, unit=\"m\"),\n",
@@ -565,6 +566,7 @@
    "source": [
     "# Update workflow\n",
     "workflow[time_of_flight.RawData] = raw_data\n",
+    "workflow[time_of_flight.Ltotal] = Ltotal\n",
     "\n",
     "# Compute tofs and wavelengths\n",
     "tofs = workflow.compute(time_of_flight.TofData)\n",
@@ -663,6 +665,7 @@
     "    choppers=disk_choppers, neutrons=2_000_000\n",
     ")\n",
     "workflow[time_of_flight.RawData] = ess_beamline.get_monitor(\"detector\")[0]\n",
+    "workflow[time_of_flight.Ltotal] = Ltotal\n",
     "\n",
     "sim = workflow.compute(time_of_flight.SimulationResults)\n",
     "\n",

{essreduce-25.2.2 → essreduce-25.2.4}/docs/user-guide/tof/frame-unwrapping.ipynb

@@ -164,6 +164,7 @@
     ")\n",
     "\n",
     "workflow[time_of_flight.RawData] = nxevent_data\n",
+    "workflow[time_of_flight.Ltotal] = nxevent_data.coords[\"Ltotal\"]\n",
     "workflow[time_of_flight.LtotalRange] = detectors[0].distance, detectors[-1].distance\n",
     "workflow[time_of_flight.SimulationResults] = time_of_flight.simulate_beamline(\n",
     "    choppers={\n",
@@ -345,7 +346,7 @@
     "\n",
     "model = tof.Model(source=source, choppers=choppers, detectors=detectors)\n",
     "results = model.run()\n",
-    "results.plot(cmap=\"viridis_r\", blocked_rays=5000)"
+    "results.plot(blocked_rays=5000)"
    ]
   },
   {
@@ -372,8 +373,11 @@
     "    time_of_flight.providers(), params=time_of_flight.default_parameters()\n",
     ")\n",
     "\n",
+    "nxevent_data = results.to_nxevent_data()\n",
+    "\n",
     "workflow[time_of_flight.PulseStride] = 2\n",
-    "workflow[time_of_flight.RawData] = results.to_nxevent_data()\n",
+    "workflow[time_of_flight.RawData] = nxevent_data\n",
+    "workflow[time_of_flight.Ltotal] = nxevent_data.coords[\"Ltotal\"]\n",
     "workflow[time_of_flight.LtotalRange] = detectors[0].distance, detectors[-1].distance\n",
     "workflow[time_of_flight.SimulationResults] = time_of_flight.simulate_beamline(\n",
     "    choppers={\n",
@@ -391,7 +395,6 @@
     "        )\n",
     "        for ch in choppers\n",
     "    },\n",
-    "    neutrons=500_000,\n",
     ")\n",
     "\n",
     "workflow[time_of_flight.DistanceResolution] = sc.scalar(0.5, unit=\"m\")\n",

{essreduce-25.2.2 → essreduce-25.2.4}/docs/user-guide/tof/wfm.ipynb

@@ -310,6 +310,7 @@
     "    time_of_flight.providers(), params=time_of_flight.default_parameters()\n",
     ")\n",
     "workflow[time_of_flight.RawData] = raw_data\n",
+    "workflow[time_of_flight.Ltotal] = Ltotal\n",
     "workflow[time_of_flight.LtotalRange] = Ltotal, Ltotal\n",
     "workflow[time_of_flight.LookupTableRelativeErrorThreshold] = 0.1\n",
     "\n",

{essreduce-25.2.2 → essreduce-25.2.4}/pyproject.toml

@@ -33,7 +33,7 @@ requires-python = ">=3.10"
 dependencies = [
     "sciline>=24.06.2",
     "scipp>=25.01.0",
-    "scippneutron>=24.11.0",
+    "scippneutron>=25.02.0",
     "scippnexus>=24.11.0",
 ]
 

{essreduce-25.2.2 → essreduce-25.2.4}/requirements/base.in

@@ -4,5 +4,5 @@
 # The following was generated by 'tox -e deps', DO NOT EDIT MANUALLY!
 sciline>=24.06.2
 scipp>=25.01.0
-scippneutron>=24.11.0
+scippneutron>=25.02.0
 scippnexus>=24.11.0

{essreduce-25.2.2 → essreduce-25.2.4}/requirements/base.txt

@@ -1,24 +1,34 @@
-# SHA1:d18487328be0c30ec0a6929501d1c4a58c71bd48
+# SHA1:0aac37186f254abb39dbd8f3c3c6ad52bafc0553
 #
 # This file is autogenerated by pip-compile-multi
 # To update, run:
 #
 #    pip-compile-multi
 #
+annotated-types==0.7.0
+    # via pydantic
 contourpy==1.3.1
     # via matplotlib
 cyclebane==24.10.0
     # via sciline
 cycler==0.12.1
     # via matplotlib
+dnspython==2.7.0
+    # via email-validator
+email-validator==2.2.0
+    # via scippneutron
 fonttools==4.56.0
     # via matplotlib
 h5py==3.12.1
     # via
     #   scippneutron
     #   scippnexus
+idna==3.10
+    # via email-validator
 kiwisolver==1.4.8
     # via matplotlib
+lazy-loader==0.4
+    # via scippneutron
 matplotlib==3.10.0
     # via
     #   mpltoolbox
@@ -27,7 +37,7 @@ mpltoolbox==24.5.1
     # via scippneutron
 networkx==3.4.2
     # via cyclebane
-numpy==2.2.2
+numpy==2.2.3
     # via
     #   contourpy
     #   h5py
@@ -37,16 +47,23 @@ numpy==2.2.2
     #   scippneutron
     #   scipy
 packaging==24.2
-    # via matplotlib
+    # via
+    #   lazy-loader
+    #   matplotlib
 pillow==11.1.0
     # via matplotlib
 plopp==24.10.0
     # via scippneutron
+pydantic==2.10.6
+    # via scippneutron
+pydantic-core==2.27.2
+    # via pydantic
 pyparsing==3.2.1
     # via matplotlib
 python-dateutil==2.9.0.post0
     # via
     #   matplotlib
+    #   scippneutron
     #   scippnexus
 sciline==24.10.0
     # via -r base.in
@@ -55,15 +72,19 @@ scipp==25.2.0
     #   -r base.in
     #   scippneutron
     #   scippnexus
-scippneutron==25.1.0
+scippneutron==25.2.0
     # via -r base.in
 scippnexus==24.11.1
     # via
     #   -r base.in
     #   scippneutron
-scipy==1.15.1
+scipy==1.15.2
     # via
     #   scippneutron
     #   scippnexus
 six==1.17.0
     # via python-dateutil
+typing-extensions==4.12.2
+    # via
+    #   pydantic
+    #   pydantic-core

{essreduce-25.2.2 → essreduce-25.2.4}/requirements/basetest.txt

@@ -19,10 +19,6 @@ cycler==0.12.1
     # via matplotlib
 decorator==5.1.1
     # via ipython
-exceptiongroup==1.2.2
-    # via
-    #   ipython
-    #   pytest
 executing==2.2.0
     # via stack-data
 fonttools==4.56.0
@@ -47,7 +43,7 @@ matplotlib==3.10.0
     # via plopp
 matplotlib-inline==0.1.7
     # via ipython
-numpy==2.2.2
+numpy==2.2.3
     # via
     #   contourpy
     #   matplotlib
@@ -90,7 +86,7 @@ requests==2.32.3
     # via pooch
 scipp==25.2.0
     # via tof
-scipy==1.15.1
+scipy==1.15.2
     # via
     #   -r basetest.in
     #   tof
@@ -100,16 +96,12 @@ stack-data==0.6.3
     # via ipython
 tof==25.2.0
     # via -r basetest.in
-tomli==2.2.1
-    # via pytest
 traitlets==5.14.3
     # via
     #   comm
     #   ipython
     #   ipywidgets
     #   matplotlib-inline
-typing-extensions==4.12.2
-    # via ipython
 urllib3==2.3.0
     # via requests
 wcwidth==0.2.13

{essreduce-25.2.2 → essreduce-25.2.4}/requirements/ci.txt

@@ -44,14 +44,8 @@ requests==2.32.3
     # via -r ci.in
 smmap==5.0.2
     # via gitdb
-tomli==2.2.1
-    # via
-    #   pyproject-api
-    #   tox
 tox==4.24.1
     # via -r ci.in
-typing-extensions==4.12.2
-    # via tox
 urllib3==2.3.0
     # via requests
 virtualenv==20.29.2

{essreduce-25.2.2 → essreduce-25.2.4}/requirements/dev.txt

@@ -12,8 +12,6 @@
 -r static.txt
 -r test.txt
 -r wheels.txt
-annotated-types==0.7.0
-    # via pydantic
 anyio==4.8.0
     # via
     #   httpx
@@ -32,7 +30,7 @@ click==8.1.8
     # via
     #   pip-compile-multi
     #   pip-tools
-copier==9.4.1
+copier==9.5.0
     # via -r dev.in
 dunamai==1.23.0
     # via copier
@@ -91,10 +89,6 @@ prometheus-client==0.21.1
     # via jupyter-server
 pycparser==2.22
     # via cffi
-pydantic==2.10.6
-    # via copier
-pydantic-core==2.27.2
-    # via pydantic
 python-json-logger==3.2.1
     # via jupyter-events
 questionary==2.1.0

{essreduce-25.2.2 → essreduce-25.2.4}/requirements/docs.txt

@@ -10,8 +10,6 @@ accessible-pygments==0.0.5
     # via pydata-sphinx-theme
 alabaster==1.0.0
     # via sphinx
-appnope==0.1.4
-    # via ipykernel
 asttokens==3.0.0
     # via stack-data
 attrs==25.1.0
@@ -48,16 +46,12 @@ docutils==0.21.2
     #   nbsphinx
     #   pydata-sphinx-theme
     #   sphinx
-exceptiongroup==1.2.2
-    # via ipython
 executing==2.2.0
     # via stack-data
 fastjsonschema==2.21.1
     # via nbformat
 graphviz==0.20.3
     # via -r docs.in
-idna==3.10
-    # via requests
 imagesize==1.4.1
     # via sphinx
 importlib-resources==6.5.2
@@ -141,7 +135,7 @@ platformdirs==4.3.6
     # via jupyter-core
 prompt-toolkit==3.0.50
     # via ipython
-psutil==6.1.1
+psutil==7.0.0
     # via ipykernel
 ptyprocess==0.7.0
     # via pexpect
@@ -209,8 +203,6 @@ tinycss2==1.4.0
     # via bleach
 tof==25.2.0
     # via -r docs.in
-tomli==2.2.1
-    # via sphinx
 tornado==6.4.2
     # via
     #   ipykernel
@@ -228,13 +220,6 @@ traitlets==5.14.3
     #   nbconvert
     #   nbformat
     #   nbsphinx
-typing-extensions==4.12.2
-    # via
-    #   beautifulsoup4
-    #   ipython
-    #   mistune
-    #   pydata-sphinx-theme
-    #   referencing
 urllib3==2.3.0
     # via requests
 wcwidth==0.2.13

{essreduce-25.2.2 → essreduce-25.2.4}/requirements/nightly.txt

@@ -32,10 +32,6 @@ dnspython==2.7.0
     # via email-validator
 email-validator==2.2.0
     # via scippneutron
-exceptiongroup==1.2.2
-    # via
-    #   ipython
-    #   pytest
 executing==2.2.0
     # via stack-data
 fonttools==4.56.0
@@ -74,7 +70,7 @@ mpltoolbox==24.5.1
     # via scippneutron
 networkx==3.4.2
     # via cyclebane
-numpy==2.2.2
+numpy==2.2.3
     # via
     #   contourpy
     #   h5py
@@ -142,7 +138,7 @@ scippnexus @ git+https://github.com/scipp/scippnexus@main
     # via
     #   -r nightly.in
     #   scippneutron
-scipy==1.15.1
+scipy==1.15.2
     # via
     #   -r nightly.in
     #   scippneutron
@@ -154,8 +150,6 @@ stack-data==0.6.3
     # via ipython
 tof @ git+https://github.com/scipp/tof@main
     # via -r nightly.in
-tomli==2.2.1
-    # via pytest
 traitlets==5.14.3
     # via
     #   comm
@@ -164,7 +158,6 @@ traitlets==5.14.3
     #   matplotlib-inline
 typing-extensions==4.12.2
     # via
-    #   ipython
     #   pydantic
     #   pydantic-core
 urllib3==2.3.0

{essreduce-25.2.2 → essreduce-25.2.4}/requirements/wheels.txt

@@ -11,5 +11,3 @@ packaging==24.2
     # via build
 pyproject-hooks==1.2.0
     # via build
-tomli==2.2.1
-    # via build

{essreduce-25.2.2 → essreduce-25.2.4}/src/ess/reduce/live/raw.py

@@ -639,7 +639,7 @@ def position_with_noisy_replicas(
     # "Paint" the short array of noise on top of the (replicated) position data.
     noise = sc.concat(
         [position_noise] * ceil(size / position_noise.size), dim=noise_dim
-    )[:size].fold(dim=noise_dim, sizes={'replica': replicas, position.dim: -1})
+    )[:size].fold(dim=noise_dim, sizes={'replica': replicas, **position.sizes})
     return sc.concat([position, noise + position], dim='replica')
 
 

{essreduce-25.2.2 → essreduce-25.2.4}/src/ess/reduce/nexus/_nexus_loader.py

@@ -8,14 +8,16 @@ from collections.abc import Generator, Mapping
 from contextlib import AbstractContextManager, contextmanager, nullcontext
 from dataclasses import dataclass
 from math import prod
-from typing import cast
+from typing import TypeVar, cast
 
 import scipp as sc
 import scippnexus as snx
 
 from ..logging import get_logger
 from .types import (
+    Beamline,
     FilePath,
+    Measurement,
     NeXusAllLocationSpec,
     NeXusEntryName,
     NeXusFile,
@@ -27,6 +29,8 @@ from .types import (
 class NoNewDefinitionsType: ...
 
 
+_Model = TypeVar('_Model', Beamline, Measurement)
+
 NoNewDefinitions = NoNewDefinitionsType()
 
 
@@ -74,6 +78,18 @@ def load_all_components(
     return components
 
 
+def load_metadata(
+    file_path: FilePath | NeXusFile | NeXusGroup,
+    model: type[_Model],
+    *,
+    entry_name: NeXusEntryName | None = None,
+    definitions: Mapping | NoNewDefinitionsType = NoNewDefinitions,
+) -> _Model:
+    with _open_nexus_file(file_path, definitions=definitions) as f:
+        entry = _unique_child_group(f, snx.NXentry, entry_name)
+        return model.from_nexus_entry(entry)
+
+
 def compute_component_position(dg: sc.DataGroup) -> sc.DataGroup:
     # In some downstream packages we use some of the Nexus components which attempt
     # to compute positions without having actual Nexus data defining depends_on chains.

{essreduce-25.2.2 → essreduce-25.2.4}/src/ess/reduce/nexus/types.py

@@ -7,6 +7,7 @@ from typing import Any, BinaryIO, Generic, NewType, TypeVar
 import sciline
 import scipp as sc
 import scippnexus as snx
+from scippneutron import metadata as scn_meta
 
 FilePath = NewType('FilePath', Path)
 """Full path to a NeXus file on disk."""
@@ -177,6 +178,13 @@ Component = TypeVar(
 UniqueComponent = TypeVar('UniqueComponent', snx.NXsample, snx.NXsource)
 """Components that can be identified by their type as there will only be one."""
 
+Beamline = scn_meta.Beamline
+"""Beamline metadata."""
+Measurement = scn_meta.Measurement
+"""measurement metadata."""
+Source = scn_meta.Source
+"""Neutron source metadata."""
+
 
 class NeXusName(sciline.Scope[Component, str], str):
     """Name of a component in a NeXus file."""

{essreduce-25.2.2 → essreduce-25.2.4}/src/ess/reduce/nexus/workflow.py

@@ -19,6 +19,7 @@ from . import _nexus_loader as nexus
 from .types import (
     AllNeXusComponents,
     Analyzers,
+    Beamline,
     CalibratedBeamline,
     CalibratedDetector,
     CalibratedMonitor,
@@ -29,6 +30,7 @@ from .types import (
     DetectorPositionOffset,
     Filename,
     GravityVector,
+    Measurement,
     MonitorData,
     MonitorPositionOffset,
     MonitorType,
@@ -45,6 +47,7 @@ from .types import (
     Position,
     PreopenNeXusFile,
     RunType,
+    SampleRun,
     TimeInterval,
     UniqueComponent,
 )
@@ -586,6 +589,18 @@ def _add_variances(da: sc.DataArray) -> sc.DataArray:
     return out
 
 
+def load_beamline_metadata_from_nexus(file_spec: NeXusFileSpec[SampleRun]) -> Beamline:
+    """Load beamline metadata from a sample NeXus file."""
+    return nexus.load_metadata(file_spec.value, Beamline)
+
+
+def load_measurement_metadata_from_nexus(
+    file_spec: NeXusFileSpec[SampleRun],
+) -> Measurement:
+    """Load measurement metadata from a sample NeXus file."""
+    return nexus.load_metadata(file_spec.value, Measurement)
+
+
 definitions = snx.base_definitions()
 definitions["NXdetector"] = _StrippedDetector
 definitions["NXmonitor"] = _StrippedMonitor
@@ -631,6 +646,11 @@ _chopper_providers = (parse_disk_choppers,)
 
 _analyzer_providers = (parse_analyzers,)
 
+_metadata_providers = (
+    load_beamline_metadata_from_nexus,
+    load_measurement_metadata_from_nexus,
+)
+
 
 def LoadMonitorWorkflow() -> sciline.Pipeline:
     """Generic workflow for loading monitor data from a NeXus file."""
@@ -689,6 +709,7 @@ def GenericNeXusWorkflow(
             *_detector_providers,
             *_chopper_providers,
             *_analyzer_providers,
+            *_metadata_providers,
         )
     )
     wf[DetectorBankSizes] = DetectorBankSizes({})

{essreduce-25.2.2 → essreduce-25.2.4}/src/ess/reduce/streaming.py

@@ -147,7 +147,7 @@ class StreamProcessor:
         *,
         dynamic_keys: tuple[sciline.typing.Key, ...],
         target_keys: tuple[sciline.typing.Key, ...],
-        accumulators: dict[sciline.typing.Key, Accumulator, Callable[..., Accumulator]]
+        accumulators: dict[sciline.typing.Key, Accumulator | Callable[..., Accumulator]]
         | tuple[sciline.typing.Key, ...],
         allow_bypass: bool = False,
     ) -> None:
@@ -180,6 +180,8 @@ class StreamProcessor:
         for key in dynamic_keys:
             workflow[key] = None  # hack to prune branches
 
+        self._dynamic_keys = set(dynamic_keys)
+
         # Find and pre-compute static nodes as far down the graph as possible
         # See also https://github.com/scipp/sciline/issues/148.
         nodes = _find_descendants(workflow, dynamic_keys)
@@ -194,12 +196,19 @@ class StreamProcessor:
             if isinstance(accumulators, dict)
             else {key: EternalAccumulator() for key in accumulators}
         )
+
+        # Map each accumulator to its dependent dynamic keys
+        graph = workflow.underlying_graph
+        self._accumulator_dependencies = {
+            acc_key: nx.ancestors(graph, acc_key) & self._dynamic_keys
+            for acc_key in self._accumulators
+            if acc_key in graph
+        }
+
         # Depending on the target_keys, some accumulators can be unused and should not
         # be computed when adding a chunk.
         self._accumulators = {
-            key: value
-            for key, value in self._accumulators.items()
-            if key in self._process_chunk_workflow.underlying_graph
+            key: value for key, value in self._accumulators.items() if key in graph
         }
         # Create accumulators unless instances were passed. This allows for initializing
         # accumulators with arguments that depend on the workflow such as bin edges,
@@ -242,7 +251,30 @@ class StreamProcessor:
         ----------
         chunks:
             Chunks to be processed.
+
+        Raises
+        ------
+        ValueError
+            If non-dynamic keys are provided in chunks.
+            If accumulator computation requires dynamic keys not provided in chunks.
         """
+        non_dynamic = set(chunks) - self._dynamic_keys
+        if non_dynamic:
+            raise ValueError(
+                f"Can only update dynamic keys. Got non-dynamic keys: {non_dynamic}"
+            )
+
+        accumulators_to_update = []
+        for acc_key, deps in self._accumulator_dependencies.items():
+            if deps.isdisjoint(chunks.keys()):
+                continue
+            if not deps.issubset(chunks.keys()):
+                raise ValueError(
+                    f"Accumulator '{acc_key}' requires dynamic keys "
+                    f"{deps - chunks.keys()} not provided in the current chunk."
+                )
+            accumulators_to_update.append(acc_key)
+
         for key, value in chunks.items():
             self._process_chunk_workflow[key] = value
             # There can be dynamic keys that do not "terminate" in any accumulator. In
@@ -250,7 +282,7 @@ class StreamProcessor:
             # the target keys.
             if self._allow_bypass:
                 self._finalize_workflow[key] = value
-        to_accumulate = self._process_chunk_workflow.compute(self._accumulators)
+        to_accumulate = self._process_chunk_workflow.compute(accumulators_to_update)
         for key, processed in to_accumulate.items():
             self._accumulators[key].push(processed)