essreduce 24.12.0__py3-none-any.whl → 25.1.0__py3-none-any.whl

ess/reduce/time_of_flight/types.py

@@ -0,0 +1,176 @@
+# SPDX-License-Identifier: BSD-3-Clause
+# Copyright (c) 2025 Scipp contributors (https://github.com/scipp)
+
+from dataclasses import dataclass
+from typing import NewType
+
+import scipp as sc
+
+Ltotal = NewType("Ltotal", sc.Variable)
+"""
+Total length of the flight path from the source to the detector.
+"""
+
+
+@dataclass
+class SimulationResults:
+    """
+    Results of a time-of-flight simulation used to create a lookup table.
+
+    The results (apart from ``distance``) should be flat lists (1d arrays) of length N
+    where N is the number of neutrons, containing the properties of the neutrons in the
+    simulation.
+
+    Parameters
+    ----------
+    time_of_arrival:
+        Time of arrival of the neutrons at the position where the events were recorded
+        (1d array of size N).
+    speed:
+        Speed of the neutrons, typically derived from the wavelength of the neutrons
+        (1d array of size N).
+    wavelength:
+        Wavelength of the neutrons (1d array of size N).
+    weight:
+        Weight/probability of the neutrons (1d array of size N).
+    distance:
+        Distance from the source to the position where the events were recorded
+        (single value; we assume all neutrons were recorded at the same position).
+        For a ``tof`` simulation, this is just the position of the detector where the
+        events are recorded. For a ``McStas`` simulation, this is the distance between
+        the source and the event monitor.
+    """
+
+    time_of_arrival: sc.Variable
+    speed: sc.Variable
+    wavelength: sc.Variable
+    weight: sc.Variable
+    distance: sc.Variable
+
+
+@dataclass
+class FastestNeutron:
+    """
+    Properties of the fastest neutron in the simulation results.
+    """
+
+    time_of_arrival: sc.Variable
+    speed: sc.Variable
+    distance: sc.Variable
+
+
+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.
+This is used to create the lookup table to compute the neutron time-of-flight.
+Note that the resulting table will extend slightly beyond this range, as the supplied
+range is not necessarily a multiple of the distance resolution.
+
+Note also that the range of total flight paths is supplied manually to the workflow
+instead of being read from the input data, as it allows us to compute the expensive part
+of the workflow in advance (the lookup table) and does not need to be repeated for each
+run, or for new data coming in in the case of live data collection.
+"""
+
+DistanceResolution = NewType("DistanceResolution", sc.Variable)
+"""
+Step size of the distance axis in the lookup table.
+Should be a single scalar value with a unit of length.
+This is typically of the order of 1-10 cm.
+"""
+
+TimeOfArrivalResolution = NewType("TimeOfArrivalResolution", int | sc.Variable)
+"""
+Resolution of the time of arrival axis in the lookup table.
+Can be an integer (number of bins) or a sc.Variable (bin width).
+"""
+
+TimeOfFlightLookupTable = NewType("TimeOfFlightLookupTable", sc.DataArray)
+"""
+Lookup table giving time-of-flight as a function of distance and time of arrival.
+"""
+
+MaskedTimeOfFlightLookupTable = NewType("MaskedTimeOfFlightLookupTable", sc.DataArray)
+"""
+Lookup table giving time-of-flight as a function of distance and time of arrival, with
+regions of large uncertainty masked out.
+"""
+
+LookupTableRelativeErrorThreshold = NewType("LookupTableRelativeErrorThreshold", float)
+
+FramePeriod = NewType("FramePeriod", sc.Variable)
+"""
+The period of a frame, a (small) integer multiple of the source period.
+"""
+
+UnwrappedTimeOfArrival = NewType("UnwrappedTimeOfArrival", sc.Variable)
+"""
+Time of arrival of the neutron at the detector, unwrapped at the pulse period.
+"""
+
+PivotTimeAtDetector = NewType("PivotTimeAtDetector", sc.Variable)
+"""
+Pivot time at the detector, i.e., the time of the start of the frame at the detector.
+"""
+
+UnwrappedTimeOfArrivalMinusPivotTime = NewType(
+    "UnwrappedTimeOfArrivalMinusPivotTime", sc.Variable
+)
+"""
+Time of arrival of the neutron at the detector, unwrapped at the pulse period, minus
+the start time of the frame.
+"""
+
+TimeOfArrivalMinusPivotTimeModuloPeriod = NewType(
+    "TimeOfArrivalMinusPivotTimeModuloPeriod", sc.Variable
+)
+"""
+Time of arrival of the neutron at the detector minus the start time of the frame,
+modulo the frame period.
+"""
+
+FrameFoldedTimeOfArrival = NewType("FrameFoldedTimeOfArrival", sc.Variable)
+
+
+PulsePeriod = NewType("PulsePeriod", sc.Variable)
+"""
+Period of the source pulses, i.e., time between consecutive pulse starts.
+"""
+
+PulseStride = NewType("PulseStride", int)
+"""
+Stride of used pulses. Usually 1, but may be a small integer when pulse-skipping.
+"""
+
+PulseStrideOffset = NewType("PulseStrideOffset", int)
+"""
+When pulse-skipping, the offset of the first pulse in the stride.
+"""
+
+RawData = NewType("RawData", sc.DataArray)
+"""
+Raw detector data loaded from a NeXus file, e.g., NXdetector containing NXevent_data.
+"""
+
+TofData = NewType("TofData", sc.DataArray)
+"""
+Detector data with time-of-flight coordinate.
+"""
+
+ResampledTofData = NewType("ResampledTofData", sc.DataArray)
+"""
+Histogrammed detector data with time-of-flight coordinate, that has been resampled.
+
+Histogrammed data that has been converted to `tof` will typically have
+unsorted bin edges (due to either wrapping of `time_of_flight` or wavelength
+overlap between subframes).
+We thus resample the data to ensure that the bin edges are sorted.
+It makes use of the ``to_events`` helper which generates a number of events in each
+bin with a uniform distribution. The new events are then histogrammed using a set of
+sorted bin edges to yield a new histogram with sorted bin edges.
+
+WARNING:
+This function is highly experimental, has limitations and should be used with
+caution. It is a workaround to the issue that rebinning data with unsorted bin
+edges is not supported in scipp.
+"""

ess/reduce/ui.py

@@ -9,7 +9,7 @@ from IPython import display
 from ipywidgets import Layout
 
 from .parameter import Parameter
-from .widgets import SwitchWidget, create_parameter_widget, default_layout
+from .widgets import Spinner, SwitchWidget, create_parameter_widget, default_layout
 from .widgets._base import get_fields, set_fields
 from .workflow import (
     Key,
@@ -127,7 +127,9 @@ class ResultBox(widgets.VBox):
         def run_workflow(_: widgets.Button) -> None:
             self.output.clear_output()
             with self.output:
+                display.display(Spinner())
                 compute_result = workflow_runner()
+                display.clear_output()
                 if result_registry is not None:
                     result_registry.clear()
                     result_registry.update(compute_result)

ess/reduce/widgets/__init__.py

@@ -29,6 +29,7 @@ from ._bounds_widget import BoundsWidget
 from ._string_widget import MultiStringWidget, StringWidget
 from ._switchable_widget import SwitchWidget
 from ._optional_widget import OptionalWidget
+from ._spinner import Spinner
 
 
 class EssWidget(Protocol):
@@ -191,4 +192,5 @@ __all__ = [
     'SwitchWidget',
     'VectorWidget',
     'create_parameter_widget',
+    'Spinner',
 ]

ess/reduce/widgets/_base.py

@@ -1,6 +1,7 @@
 # SPDX-License-Identifier: BSD-3-Clause
 # Copyright (c) 2024 Scipp contributors (https://github.com/scipp)
 import warnings
+from collections.abc import Iterable
 from typing import Any, Protocol, runtime_checkable
 
 from ipywidgets import Widget
@@ -13,6 +14,14 @@ class WidgetWithFieldsProtocol(Protocol):
     def get_fields(self) -> dict[str, Any]: ...
 
 
+def _warn_invalid_field(invalid_fields: Iterable[str]) -> None:
+    for field_name in invalid_fields:
+        warning_msg = f"Cannot set field '{field_name}'."
+        " The field does not exist in the widget."
+        "The field value will be ignored."
+        warnings.warn(warning_msg, UserWarning, stacklevel=2)
+
+
 class WidgetWithFieldsMixin:
     def set_fields(self, new_values: dict[str, Any]) -> None:
         # Extract valid fields
@@ -20,11 +29,7 @@ class WidgetWithFieldsMixin:
         valid_field_names = new_field_names & set(self.fields.keys())
         # Warn for invalid fields
         invalid_field_names = new_field_names - valid_field_names
-        for field_name in invalid_field_names:
-            warning_msg = f"Cannot set field '{field_name}'."
-            " The field does not exist in the widget."
-            "The field value will be ignored."
-            warnings.warn(warning_msg, UserWarning, stacklevel=1)
+        _warn_invalid_field(invalid_field_names)
         # Set valid fields
         for field_name in valid_field_names:
             self.fields[field_name].value = new_values[field_name]
@@ -36,28 +41,87 @@ class WidgetWithFieldsMixin:
         }
 
 
-def _has_widget_value_setter(widget: Widget) -> bool:
-    widget_type = type(widget)
-    return (
-        widget_property := getattr(widget_type, 'value', None)
-    ) is not None and getattr(widget_property, 'fset', None) is not None
+def set_fields(widget: Widget, new_values: dict[str, Any]) -> None:
+    """Set the fields of a widget with the given values.
+
+    Parameters
+    ----------
+    widget:
+        The widget to set the fields. It should either be an instance of
+        ``WidgetWithFieldsProtocol`` or have a value property setter.
+    new_values:
+        The new values to set for the fields.
+        i.e. ``{'field_name': field_value}``
+        If the widget does not have a ``set_fields/get_fields`` method,
+        (e.g. it is not an instance of ``WidgetWithFieldsProtocol``),
+        it will try to set the value of the widget directly.
+        The value of the widget should be available in the ``new_values`` dictionary
+        with the key 'value'.
+        i.e. ``{'value': widget_value}``
+
+    Raises
+    ------
+    TypeError:
+        If ``new_values`` is not a dictionary.
 
+    """
+    if not isinstance(new_values, dict):
+        raise TypeError(f"new_values must be a dictionary, got {type(new_values)}")
 
-def set_fields(widget: Widget, new_values: Any) -> None:
     if isinstance(widget, WidgetWithFieldsProtocol) and isinstance(new_values, dict):
         widget.set_fields(new_values)
-    elif _has_widget_value_setter(widget):
-        widget.value = new_values
     else:
-        warnings.warn(
-            f"Cannot set value or fields for widget of type {type(widget)}."
-            " The new_value(s) will be ignored.",
-            UserWarning,
-            stacklevel=1,
-        )
+        try:
+            # Use value property setter if ``new_values`` contains 'value'
+            if 'value' in new_values:
+                widget.value = new_values['value']
+            # Warn if there is any other fields in new_values
+            _warn_invalid_field(set(new_values.keys()) - {'value'})
+        except AttributeError as error:
+            # Checking if the widget value property has a setter in advance, i.e.
+            # ```python
+            # (widget_property := getattr(type(widget), 'value', None)) is not None
+            # and getattr(widget_property, 'fset', None) is not None
+            # ```
+            # does not work with a class that inherits Traitlets class.
+            # In those classes, even if a property has a setter,
+            # it may not have `fset` attribute.
+            # It is not really feasible to check all possible cases of value setters.
+            # Instead, we try setting the value and catch the AttributeError.
+            # to determine if the widget has a value setter.
+            warnings.warn(
+                f"Cannot set value for widget of type {type(widget)}."
+                " The new_value(s) will be ignored."
+                f" Setting value caused the following error: {error}",
+                UserWarning,
+                stacklevel=1,
+            )
 
 
-def get_fields(widget: Widget) -> Any:
+def get_fields(widget: Widget) -> dict[str, Any] | None:
+    """Get the fields of a widget.
+
+    If the widget is an instance of ``WidgetWithFieldsProtocol``,
+    it will return the fields of the widget.
+    i.e. ``{'field_name': field_value}``
+    Otherwise, it will try to get the value of the widget and return a dictionary
+    with the key 'value' and the value of the widget.
+    i.e. ``{'value': widget_value}``
+
+    Parameters
+    ----------
+    widget:
+        The widget to get the fields. It should either be an instance of
+        ``WidgetWithFieldsProtocol`` or have a value property.
+
+    """
     if isinstance(widget, WidgetWithFieldsProtocol):
         return widget.get_fields()
-    return widget.value
+    try:
+        return {'value': widget.value}
+    except AttributeError:
+        warnings.warn(
+            f"Cannot get value or fields for widget of type {type(widget)}.",
+            UserWarning,
+            stacklevel=1,
+        )

ess/reduce/widgets/_optional_widget.py

@@ -4,6 +4,7 @@ from typing import Any
 
 from ipywidgets import HTML, HBox, Layout, RadioButtons, Widget
 
+from ._base import get_fields, set_fields
 from ._config import default_style
 
 
@@ -64,3 +65,26 @@ class OptionalWidget(HBox):
         else:
             self._option_box.value = self.name
             self.wrapped.value = value
+
+    def set_fields(self, new_values: dict[str, Any]) -> None:
+        new_values = dict(new_values)
+        # Set the value of the option box
+        opted_out_flag = new_values.pop(
+            # We assume ``essreduce-opted-out`` is not used in any wrapped widget
+            'essreduce-opted-out',
+            self._option_box.value is None,
+        )
+        if not isinstance(opted_out_flag, bool):
+            raise ValueError(
+                f"Invalid value for 'essreduce-opted-out' field: {opted_out_flag}."
+                " The value should be a boolean."
+            )
+        self._option_box.value = None if opted_out_flag else self.name
+        # Set the value of the wrapped widget
+        set_fields(self.wrapped, new_values)
+
+    def get_fields(self) -> dict[str, Any] | None:
+        return {
+            **(get_fields(self.wrapped) or {}),
+            'essreduce-opted-out': self._option_box.value is None,
+        }

ess/reduce/widgets/_spinner.py

@@ -0,0 +1,100 @@
+_spinner = '''
+<style>
+.lds-spinner {
+  /* change color here */
+  color: #1c4c5b
+}
+.lds-spinner,
+.lds-spinner div,
+.lds-spinner div:after {
+  box-sizing: border-box;
+}
+.lds-spinner {
+  color: currentColor;
+  display: inline-block;
+  position: relative;
+  width: 80px;
+  height: 80px;
+}
+.lds-spinner div {
+  transform-origin: 40px 40px;
+  animation: lds-spinner 1.2s linear infinite;
+}
+.lds-spinner div:after {
+  content: " ";
+  display: block;
+  position: absolute;
+  top: 3.2px;
+  left: 36.8px;
+  width: 6.4px;
+  height: 17.6px;
+  border-radius: 20%;
+  background: currentColor;
+}
+.lds-spinner div:nth-child(1) {
+  transform: rotate(0deg);
+  animation-delay: -1.1s;
+}
+.lds-spinner div:nth-child(2) {
+  transform: rotate(30deg);
+  animation-delay: -1s;
+}
+.lds-spinner div:nth-child(3) {
+  transform: rotate(60deg);
+  animation-delay: -0.9s;
+}
+.lds-spinner div:nth-child(4) {
+  transform: rotate(90deg);
+  animation-delay: -0.8s;
+}
+.lds-spinner div:nth-child(5) {
+  transform: rotate(120deg);
+  animation-delay: -0.7s;
+}
+.lds-spinner div:nth-child(6) {
+  transform: rotate(150deg);
+  animation-delay: -0.6s;
+}
+.lds-spinner div:nth-child(7) {
+  transform: rotate(180deg);
+  animation-delay: -0.5s;
+}
+.lds-spinner div:nth-child(8) {
+  transform: rotate(210deg);
+  animation-delay: -0.4s;
+}
+.lds-spinner div:nth-child(9) {
+  transform: rotate(240deg);
+  animation-delay: -0.3s;
+}
+.lds-spinner div:nth-child(10) {
+  transform: rotate(270deg);
+  animation-delay: -0.2s;
+}
+.lds-spinner div:nth-child(11) {
+  transform: rotate(300deg);
+  animation-delay: -0.1s;
+}
+.lds-spinner div:nth-child(12) {
+  transform: rotate(330deg);
+  animation-delay: 0s;
+}
+@keyframes lds-spinner {
+  0% {
+    opacity: 1;
+  }
+  100% {
+    opacity: 0;
+  }
+}
+</style>
+<div class="lds-spinner"><div></div><div></div><div></div><div></div><div></div><div></div><div></div><div></div><div></div><div></div><div></div><div></div></div>
+'''  # noqa: E501
+
+
+class Spinner:
+    def _repr_html_(self, *args, **kwargs):
+        return _spinner
+
+    def _repr_pretty_(self, *args, **kwargs):
+        return '...in progress'

ess/reduce/widgets/_switchable_widget.py

@@ -4,6 +4,7 @@ from typing import Any
 
 from ipywidgets import Checkbox, HBox, Label, Stack, Widget
 
+from ._base import get_fields, set_fields
 from ._config import default_style
 
 
@@ -49,3 +50,17 @@ class SwitchWidget(HBox):
     @value.setter
     def value(self, value: Any) -> None:
         self.wrapped.value = value
+
+    def set_fields(self, new_values: dict[str, Any]) -> None:
+        # Retrieve and set the enabled flag first
+        new_values = dict(new_values)
+        enabled_flag = new_values.pop('enabled', self.enabled)
+        if not isinstance(enabled_flag, bool):
+            raise ValueError(f"`enabled` must be a boolean, got {enabled_flag}")
+        self.enabled = enabled_flag
+        # Set the rest of the fields
+        set_fields(self.wrapped, new_values)
+
+    def get_fields(self) -> dict[str, Any]:
+        wrapped_fields = get_fields(self.wrapped)
+        return {'enabled': self.enabled, **(wrapped_fields or {})}

{essreduce-24.12.0.dist-info → essreduce-25.1.0.dist-info}/METADATA

@@ -1,6 +1,6 @@
-Metadata-Version: 2.1
+Metadata-Version: 2.2
 Name: essreduce
-Version: 24.12.0
+Version: 25.1.0
 Summary: Common data reduction tools for the ESS facility
 Author: Scipp contributors
 License: BSD 3-Clause License
@@ -52,13 +52,15 @@ Requires-Python: >=3.10
 Description-Content-Type: text/markdown
 License-File: LICENSE
 Requires-Dist: sciline>=24.06.2
-Requires-Dist: scipp>=24.02.0
+Requires-Dist: scipp>=25.01.0
 Requires-Dist: scippneutron>=24.11.0
 Requires-Dist: scippnexus>=24.11.0
 Provides-Extra: test
 Requires-Dist: ipywidgets; extra == "test"
 Requires-Dist: pooch; extra == "test"
 Requires-Dist: pytest; extra == "test"
+Requires-Dist: scipy>=1.7.0; extra == "test"
+Requires-Dist: tof>=25.01.2; extra == "test"
 
 [![Contributor Covenant](https://img.shields.io/badge/Contributor%20Covenant-2.1-4baaaa.svg)](CODE_OF_CONDUCT.md)
 [![PyPI badge](http://img.shields.io/pypi/v/essreduce.svg)](https://pypi.python.org/pypi/essreduce)

essreduce-25.1.0.dist-info/RECORD

@@ -0,0 +1,43 @@
+ess/reduce/__init__.py,sha256=UPoVUoZ4oVwNLcAkkkCvc78hV3R8v9Q8oCxykp9WH4s,416
+ess/reduce/data.py,sha256=vaoeAJ6EpK1YghOiAALLdWiW17TgUnnnt0H-RGiGzXk,3756
+ess/reduce/logging.py,sha256=6n8Czq4LZ3OK9ENlKsWSI1M3KvKv6_HSoUiV4__IUlU,357
+ess/reduce/parameter.py,sha256=4sCfoKOI2HuO_Q7JLH_jAXnEOFANSn5P3NdaOBzhJxc,4635
+ess/reduce/py.typed,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
+ess/reduce/streaming.py,sha256=nEO1Xg6LbQ36F44UaVmSNe2MSWmpwz97y9tnlc-z0zA,7493
+ess/reduce/ui.py,sha256=zmorAbDwX1cU3ygDT--OP58o0qU7OBcmJz03jPeYSLA,10884
+ess/reduce/uncertainty.py,sha256=LR4O6ApB6Z-W9gC_XW0ajupl8yFG-du0eee1AX_R-gk,6990
+ess/reduce/workflow.py,sha256=sL34T_2Cjl_8iFlegujxI9VyOUwo6erVC8pOXnfWgYw,3060
+ess/reduce/live/__init__.py,sha256=jPQVhihRVNtEDrE20PoKkclKV2aBF1lS7cCHootgFgI,204
+ess/reduce/live/raw.py,sha256=W9fv0zaRqC6PFB5DYGAI1BK-zMgX73h5JHANKu-sMl4,19438
+ess/reduce/live/workflow.py,sha256=bsbwvTqPhRO6mC__3b7MgU7DWwAnOvGvG-t2n22EKq8,4285
+ess/reduce/nexus/__init__.py,sha256=PxJkhlGcFRzVU4SICBhymK5_5FjM5oXPZ8YUpd0v1pE,967
+ess/reduce/nexus/_nexus_loader.py,sha256=otc0qEjGD5K8xFLbn_RYAble34NoDhxLaazE0LAvySE,17911
+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=Az_pZtaTIlEAA4Po_YOLabez8w4HeHcr0asY3rS6BXg,9676
+ess/reduce/nexus/workflow.py,sha256=jzdh0ubp9Mmb98a04KIeM8Xo9bpAqpnsfwFWz2VllnQ,23676
+ess/reduce/scripts/grow_nexus.py,sha256=hET3h06M0xlJd62E3palNLFvJMyNax2kK4XyJcOhl-I,3387
+ess/reduce/time_of_flight/__init__.py,sha256=Qbu0y9fHBoib1GIftmA77iEW1CaxLUmgb6aGvCoyTls,1496
+ess/reduce/time_of_flight/fakes.py,sha256=cyo6eYn0nOy3Dt1iDge7utkUrSGU-OpZ5g73-DGJsyw,7583
+ess/reduce/time_of_flight/simulation.py,sha256=Tn4kRkXisWjA4ss4AXVshfa9gga0GFOXqtABjRru2MI,2488
+ess/reduce/time_of_flight/to_events.py,sha256=BNBv6gT9KkJDJ2UWSw-V2YkOyPf_kYv_xVU6-K-sngE,4003
+ess/reduce/time_of_flight/toa_to_tof.py,sha256=_aQiXqO5LeeBePZcZv_f5VhkreH9NDwFQfDsbe275xI,19505
+ess/reduce/time_of_flight/types.py,sha256=JIAvdBF61wESKoxl1vHmks_udNfT2dlrOxHKOBjFCzg,5888
+ess/reduce/widgets/__init__.py,sha256=wk5ihxvtZHqkp2EYVtbJr1Es0lw69KQpyTSaizNgWjU,5326
+ess/reduce/widgets/_base.py,sha256=_wN3FOlXgx_u0c-A_3yyoIH-SdUvDENGgquh9S-h5GI,4852
+ess/reduce/widgets/_binedges_widget.py,sha256=ZCQsGjYHnJr9GFUn7NjoZc1CdsnAzm_fMzyF-fTKKVY,2785
+ess/reduce/widgets/_bounds_widget.py,sha256=CAyswvMA49mGMl2413TKBMbuG0ULCQPEaSODq8ghiDo,1084
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