essreduce 25.2.3__tar.gz → 25.2.5__tar.gz

{essreduce-25.2.3/src/essreduce.egg-info → essreduce-25.2.5}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.2
 Name: essreduce
-Version: 25.2.3
+Version: 25.2.5
 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-25.2.3 → essreduce-25.2.5}/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-25.2.3 → essreduce-25.2.5}/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-25.2.3 → essreduce-25.2.5}/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-25.2.3 → essreduce-25.2.5}/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-25.2.3 → essreduce-25.2.5}/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-25.2.3 → essreduce-25.2.5}/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-25.2.3 → essreduce-25.2.5}/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-25.2.3 → essreduce-25.2.5}/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-25.2.3 → essreduce-25.2.5}/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-25.2.3 → essreduce-25.2.5}/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.
@@ -164,10 +180,15 @@ def _attempt_to_open_without_locking(
     # HDF5 tracks file locking flags internally within a single process.
     # If the same file is opened multiple times, we can get a flag mismatch.
     # We can try opening without locking, maybe this matches the original flags.
-    if "file locking flag values don't match" in err.args[0]:
-        return True
-    if "file locking 'ignore disabled locks' flag values don't match" in err.args[0]:
-        return True
+    error_message = err.args[0]
+    if isinstance(error_message, str):
+        if "file locking flag values don't match" in error_message:
+            return True
+        if (
+            "file locking 'ignore disabled locks' flag values don't match"
+            in error_message
+        ):
+            return True
     return False
 
 

{essreduce-25.2.3 → essreduce-25.2.5}/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-25.2.3 → essreduce-25.2.5}/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-25.2.3 → essreduce-25.2.5}/src/ess/reduce/streaming.py

@@ -68,7 +68,18 @@ class Accumulator(ABC, Generic[T]):
     def _do_push(self, value: T) -> None: ...
 
     @property
-    @abstractmethod
+    def is_empty(self) -> bool:
+        """
+        Check if the accumulator is empty.
+
+        Returns
+        -------
+        :
+            True if the accumulator is empty, False otherwise.
+        """
+        return False
+
+    @property
     def value(self) -> T:
         """
         Get the accumulated value.
@@ -77,6 +88,24 @@ class Accumulator(ABC, Generic[T]):
         -------
         :
             Accumulated value.
+
+        Raises
+        ------
+        ValueError
+            If the accumulator is empty.
+        """
+        if self.is_empty:
+            raise ValueError("Cannot get value from empty accumulator")
+        return self._get_value()
+
+    @abstractmethod
+    def _get_value(self) -> T:
+        """Return the accumulated value, assuming it exists."""
+
+    @abstractmethod
+    def clear(self) -> None:
+        """
+        Clear the accumulator, resetting it to its initial state.
         """
 
 
@@ -92,7 +121,10 @@ class EternalAccumulator(Accumulator[T]):
         self._value: T | None = None
 
     @property
-    def value(self) -> T:
+    def is_empty(self) -> bool:
+        return self._value is None
+
+    def _get_value(self) -> T:
         return deepcopy(self._value)
 
     def _do_push(self, value: T) -> None:
@@ -101,6 +133,10 @@ class EternalAccumulator(Accumulator[T]):
         else:
             self._value += value
 
+    def clear(self) -> None:
+        """Clear the accumulated value."""
+        self._value = None
+
 
 class RollingAccumulator(Accumulator[T]):
     """
@@ -121,7 +157,10 @@ class RollingAccumulator(Accumulator[T]):
         self._values: list[T] = []
 
     @property
-    def value(self) -> T:
+    def is_empty(self) -> bool:
+        return len(self._values) == 0
+
+    def _get_value(self) -> T:
         # Naive and potentially slow implementation if values and/or window are large!
         return sc.reduce(self._values).sum()
 
@@ -130,6 +169,10 @@ class RollingAccumulator(Accumulator[T]):
         if len(self._values) > self._window:
             self._values.pop(0)
 
+    def clear(self) -> None:
+        """Clear the accumulated values."""
+        self._values = []
+
 
 class StreamProcessor:
     """
@@ -299,6 +342,16 @@ class StreamProcessor:
             self._finalize_workflow[key] = self._accumulators[key].value
         return self._finalize_workflow.compute(self._target_keys)
 
+    def clear(self) -> None:
+        """
+        Clear all accumulators, resetting them to their initial state.
+
+        This is useful for restarting a streaming computation without
+        creating a new StreamProcessor instance.
+        """
+        for accumulator in self._accumulators.values():
+            accumulator.clear()
+
 
 def _find_descendants(
     workflow: sciline.Pipeline, keys: tuple[sciline.typing.Key, ...]

{essreduce-25.2.3 → essreduce-25.2.5/src/essreduce.egg-info}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.2
 Name: essreduce
-Version: 25.2.3
+Version: 25.2.5
 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-25.2.3 → essreduce-25.2.5}/src/essreduce.egg-info/requires.txt

@@ -1,6 +1,6 @@
 sciline>=24.06.2
 scipp>=25.01.0
-scippneutron>=24.11.0
+scippneutron>=25.02.0
 scippnexus>=24.11.0
 
 [test]

{essreduce-25.2.3 → essreduce-25.2.5}/tests/nexus/nexus_loader_test.py

@@ -1,6 +1,7 @@
 # SPDX-License-Identifier: BSD-3-Clause
 # Copyright (c) 2024 Scipp contributors (https://github.com/scipp)
-
+import os
+import sys
 from contextlib import contextmanager
 from io import BytesIO
 from pathlib import Path
@@ -661,17 +662,34 @@ def test_open_nexus_file_multiple_times(tmp_path: Path, locks: tuple[Any, Any])
             assert f1.name == f2.name
 
 
+def _in_conda_env():
+    return 'CONDA_PREFIX' in os.environ
+
+
+def _test_open_nexus_file_with_mismatched_locking(
+    tmp_path: Path, locks: tuple[Any, Any]
+) -> None:
+    from ess.reduce.nexus._nexus_loader import _open_nexus_file
+
+    path = FilePath(tmp_path / "file.nxs")
+    with snx.File(path, "w"):
+        pass
+
+    with _open_nexus_file(path, locking=locks[0]):
+        with pytest.raises(OSError, match="flag values don't match"):
+            _ = _open_nexus_file(path, locking=locks[1])
+
+
+@pytest.mark.skipif(
+    sys.platform in ("darwin", "win32")
+    or (sys.platform == "linux" and _in_conda_env()),
+    reason="HDF5 has different file locking flags on MacOS, Windows and Linux(conda)",
+)
 @pytest.mark.parametrize(
     "locks",
     [
-        (True, False),
         (True, None),
-        (False, True),
-        (False, None),
         (None, True),
-        (None, False),
-        # On a read-only filesystem, this would work:
-        (NoLockingIfNeeded, False),
         # This could be supported, but it could cause problems because the first
         # user expects the file to be locked.
         (True, NoLockingIfNeeded),
@@ -679,15 +697,31 @@ def test_open_nexus_file_multiple_times(tmp_path: Path, locks: tuple[Any, Any])
         (NoLockingIfNeeded, True),
     ],
 )
-def test_open_nexus_file_with_mismatched_locking(
+def test_open_nexus_file_with_mismatched_locking_pypi_linux(
     tmp_path: Path, locks: tuple[Any, Any]
 ) -> None:
-    from ess.reduce.nexus._nexus_loader import _open_nexus_file
+    _test_open_nexus_file_with_mismatched_locking(tmp_path, locks)
 
-    path = FilePath(tmp_path / "file.nxs")
-    with snx.File(path, "w"):
-        pass
 
-    with _open_nexus_file(path, locking=locks[0]):
-        with pytest.raises(OSError, match="flag values don't match"):
-            _ = _open_nexus_file(path, locking=locks[1])
+@pytest.mark.parametrize(
+    "locks",
+    [
+        (True, False),
+        (False, True),
+        (False, None),
+        (None, False),
+        # On a read-only filesystem, this would work:
+        (NoLockingIfNeeded, False),
+    ],
+)
+def test_open_nexus_file_with_mismatched_locking_all(
+    tmp_path: Path, locks: tuple[Any, Any]
+) -> None:
+    _test_open_nexus_file_with_mismatched_locking(tmp_path, locks)
+
+
+def test_open_nonexisting_file_raises_filenotfounderror():
+    from ess.reduce.nexus._nexus_loader import _open_nexus_file
+
+    with pytest.raises(FileNotFoundError):
+        _open_nexus_file(nexus.types.FilePath(Path("doesnotexist.hdf")))