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Merge pull request #621 from scipp/default-bifrost-detector-names
[ESSSPECTROSCOPY] Default BIFROST detector names
2 parents 18219bb + 49779b1 commit de70349

9 files changed

Lines changed: 88 additions & 126 deletions

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‎packages/essspectroscopy/docs/user-guide/bifrost/bifrost-make-wavelength-lookup-table.ipynb‎

Lines changed: 15 additions & 27 deletions
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@@ -53,20 +53,8 @@
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"metadata": {},
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"outputs": [],
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"source": [
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"input_filename = simulated_elastic_incoherent_with_phonon()\n",
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"with snx.File(input_filename) as f:\n",
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" detector_names = list(f['entry/instrument'][snx.NXdetector])"
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]
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},
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{
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"cell_type": "code",
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"execution_count": null,
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"id": "4",
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"metadata": {},
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"outputs": [],
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"source": [
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"bifrost_workflow = BifrostSimulationWorkflow(detector_names)\n",
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"bifrost_workflow[Filename[SampleRun]] = input_filename\n",
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"bifrost_workflow = BifrostSimulationWorkflow()\n",
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"bifrost_workflow[Filename[SampleRun]] = simulated_elastic_incoherent_with_phonon()\n",
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"\n",
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"M = nexus.types.EmptyMonitor[SampleRun, NormalizationMonitor]\n",
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"C = RawChoppers[SampleRun]\n",
@@ -78,7 +66,7 @@
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},
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{
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"cell_type": "markdown",
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"id": "5",
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"id": "4",
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"metadata": {},
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"source": [
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"Compute the required distance range to include the monitor and all detectors.\n",
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{
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"cell_type": "code",
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"execution_count": null,
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"id": "6",
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"id": "5",
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"metadata": {},
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"outputs": [],
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"source": [
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},
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{
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"cell_type": "markdown",
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"id": "7",
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"id": "6",
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"metadata": {},
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"source": [
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"The choppers in the simulated file need to be processed before they can be used for computing a lookup table.\n",
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{
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"cell_type": "code",
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"execution_count": null,
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"id": "8",
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"id": "7",
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"metadata": {},
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"outputs": [],
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"source": [
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},
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{
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"cell_type": "markdown",
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"id": "9",
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"id": "8",
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"metadata": {},
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"source": [
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"## Compute the lookup table"
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]
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},
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{
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"cell_type": "markdown",
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"id": "10",
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"id": "9",
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"metadata": {},
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"source": [
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"Construct a lookup table workflow:"
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{
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"cell_type": "code",
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"execution_count": null,
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"id": "11",
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"id": "10",
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"metadata": {},
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"outputs": [],
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"source": [
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{
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"cell_type": "code",
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"execution_count": null,
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"id": "12",
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"id": "11",
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"metadata": {},
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"outputs": [],
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"source": [
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},
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{
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"cell_type": "markdown",
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"id": "13",
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"id": "12",
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"metadata": {},
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"source": [
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"Compute a lookup table:"
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{
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"cell_type": "code",
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"execution_count": null,
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"id": "14",
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"id": "13",
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"metadata": {},
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"outputs": [],
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"source": [
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{
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"cell_type": "code",
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"execution_count": null,
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"id": "15",
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"id": "14",
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"metadata": {},
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"outputs": [],
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"source": [
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},
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{
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"cell_type": "markdown",
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"id": "16",
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"id": "15",
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"metadata": {},
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"source": [
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"## Save to file"
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{
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"cell_type": "code",
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"execution_count": null,
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"id": "17",
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"id": "16",
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"metadata": {},
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"outputs": [],
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"source": [

‎packages/essspectroscopy/docs/user-guide/bifrost/bifrost-reduction.ipynb‎

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Original file line numberDiff line numberDiff line change
@@ -21,7 +21,6 @@
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"import numpy as np\n",
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"import scipp as sc\n",
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"import sciline\n",
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"import scippnexus as snx\n",
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"\n",
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"from ess import bifrost\n",
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"from ess.bifrost.data import (\n",
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"id": "2",
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"metadata": {},
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"source": [
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"BIFROST NeXus files store detector data in 45 separate NXdetector groups, one per detector triplet.\n",
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"For the time being, we need to specify the names of these NXdetector groups when creating the workflow.\n",
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"So load them from the input file:"
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]
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},
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{
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"cell_type": "code",
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"execution_count": null,
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"id": "3",
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"metadata": {},
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"outputs": [],
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"source": [
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"with snx.File(simulated_elastic_incoherent_with_phonon()) as f:\n",
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" detector_names = list(f['entry/instrument'][snx.NXdetector])"
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]
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},
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{
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"cell_type": "markdown",
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"id": "4",
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"metadata": {},
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"source": [
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"Generally, we would use all triplets, but for this example, we only use the first two.\n",
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"This reduces the size of the data and the time to compute it."
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]
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},
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{
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"cell_type": "code",
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"execution_count": null,
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"id": "5",
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"metadata": {},
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"outputs": [],
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"source": [
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"detector_names = detector_names[:2]"
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]
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},
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{
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"cell_type": "markdown",
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"id": "6",
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"metadata": {},
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"source": [
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"Next, construct the workflow which is a [sciline.Pipeline](https://scipp.github.io/sciline/generated/classes/sciline.Pipeline.html) and encodes the entire reduction procedure.\n",
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"Construct the workflow which is a [sciline.Pipeline](https://scipp.github.io/sciline/generated/classes/sciline.Pipeline.html) and encodes the entire reduction procedure.\n",
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"We need to provide a couple of parameters so we can run the workflow:"
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]
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},
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{
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"cell_type": "code",
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"execution_count": null,
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"id": "7",
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"id": "3",
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"metadata": {},
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"outputs": [],
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"source": [
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"workflow = bifrost.BifrostSimulationWorkflow(detector_names)\n",
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"workflow = bifrost.BifrostSimulationWorkflow()\n",
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"# Set the input file name:\n",
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"workflow[Filename[SampleRun]] = simulated_elastic_incoherent_with_phonon()\n",
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"# Set the lookup table for frame unwrapping:\n",
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},
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{
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"cell_type": "markdown",
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"id": "8",
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"id": "4",
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"metadata": {},
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"source": [
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"Next, draw the workflow as a graph to inspect the steps it will take to reduce the data.\n",
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{
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"cell_type": "code",
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"execution_count": null,
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"id": "5",
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"metadata": {},
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"outputs": [],
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"source": [
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},
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{
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"cell_type": "markdown",
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"id": "6",
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"metadata": {},
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"source": [
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"We are ready to compute the reduced data.\n",
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{
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"cell_type": "code",
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"execution_count": null,
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"id": "7",
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"metadata": {},
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"outputs": [],
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"source": [
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},
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{
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"cell_type": "markdown",
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"id": "8",
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"metadata": {},
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"source": [
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"The result contains coordinates for the sample table and detector rotation angles `a3` and `a4`, respectively.\n",
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{
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"cell_type": "code",
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"execution_count": null,
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"id": "9",
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"metadata": {},
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"outputs": [],
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"source": [
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},
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{
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"cell_type": "markdown",
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"metadata": {},
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"source": [
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"We can plot the counts as a function of energy transfer and $a_3$ by removing the unused dimensions.\n",
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{
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"execution_count": null,
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},
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{
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"cell_type": "markdown",
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"metadata": {},
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"We can also plot the counts as a function of the momentum transfer in the sample table frame $Q$.\n",
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{
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"cell_type": "code",
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"execution_count": null,
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"id": "13",
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"metadata": {},
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"outputs": [],
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"source": [

‎packages/essspectroscopy/src/ess/bifrost/__init__.py‎

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import importlib.metadata
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from .detector import providers
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from .detector import default_detector_names
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from .io import nexus
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from .workflow import BifrostSimulationWorkflow, BifrostWorkflow
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del importlib
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19-
__all__ = ['BifrostSimulationWorkflow', 'BifrostWorkflow', 'nexus', 'providers']
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__all__ = [
20+
'BifrostSimulationWorkflow',
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'BifrostWorkflow',
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'default_detector_names',
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'nexus',
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]

‎packages/essspectroscopy/src/ess/bifrost/detector.py‎

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"""Detector handling for BIFROST."""
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import itertools
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from collections.abc import Callable
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import scipp as sc
@@ -281,4 +282,17 @@ def merge_triplets(
281282
return concatenated
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285+
def default_detector_names() -> list[str]:
286+
"""Return the list of detector names in a BIFROST NeXus file.
287+
288+
These names are based on the names in the NeXus schema.
289+
"""
290+
# c is the channel number
291+
# a is the arc number
292+
return [
293+
f"channel_{c}_{a}_triplet"
294+
for c, a in itertools.product(range(1, 10), range(1, 6))
295+
]
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284298
providers = (arc_number, get_calibrated_detector_bifrost)

‎packages/essspectroscopy/src/ess/bifrost/live.py‎

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import sciline
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import scipp as sc
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from ess.spectroscopy.types import (
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EnergyQDetector,
14-
NeXusDetectorName,
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RunType,
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)
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from ess.spectroscopy.types import EnergyQDetector, RunType
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from .types import ArcEnergy
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from .workflow import BifrostWorkflow
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170166
)
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def BifrostQCutWorkflow(detector_names: list[NeXusDetectorName]) -> sciline.Pipeline:
169+
def BifrostQCutWorkflow(detector_names: list[str] | None = None) -> sciline.Pipeline:
174170
"""Workflow for BIFROST to compute cuts in Q-E-space."""
175-
workflow = BifrostWorkflow(detector_names)
171+
workflow = BifrostWorkflow(detector_names=detector_names)
176172
workflow.insert(arc_energy)
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workflow.insert(cut)
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return workflow

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