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Merge pull request #1827 from McStasMcXtrace/willend-pygen-minor-revision
pygen minor revision: Build importable make() function and call from generic notebook
2 parents 7b503d9 + d4b1cae commit 00b3563

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-101
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8 files changed

+265
-101
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‎cmake/support/run-scripts/labenv.bat.in‎

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@@ -13,8 +13,9 @@ SET EXT=%%~xi
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@IF "%EXT%"==".instr" (
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@FLAVOR@-pygen %INSTRUMENT%
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SET INSTRUMENT="%BASE%_generated.py"
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goto :JupyText
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sed s/INSTRUMENT/%BASE%/g %BINDIR%\@MCCODE_RELPATH_BINDIR2TOOLDIR@\Python\@MCCODE_PREFIX@run\template.ipynb.in > %BASE%_generated.ipynb
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SET INSTRUMENT="%BASE%_generated.ipynb"
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goto :JupyLaunch
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) ELSE IF "%EXT%"==".py" (
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goto :JupyLaunch
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) ELSE IF "%EXT%"==".ipynb" (

‎mcstas/src/pygen.c.in‎

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‎meta-pkgs/windows/McStas-metapackage64.iss‎

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@@ -53,7 +53,6 @@ Source: "dist\mcstas-tools-python-mcdisplay-pyqtgraph-NSIS64-@[email protected]
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Source: "dist\mcstas-tools-python-mcdisplay-matplotlib-NSIS64-@[email protected]"; DestDir: "{tmp}"
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Source: "dist\mcstas-tools-python-mcdisplay-mantid-NSIS64-@[email protected]"; DestDir: "{tmp}"
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Source: "dist\mcstas-tools-python-mcdoc-NSIS64-@[email protected]"; DestDir: "{tmp}"
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Source: "dist\mcstas-mcpl-NSIS64-@[email protected]"; DestDir: "{tmp}"
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Source: "Support\Miniforge3-Windows-x86_64.exe"; DestDir: "{tmp}"
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[Run]
@@ -76,7 +75,6 @@ Filename: "{tmp}\mcstas-tools-python-mcdisplay-pyqtgraph-NSIS64-@VERSION@-mingw6
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Filename: "{tmp}\mcstas-tools-python-mcdisplay-matplotlib-NSIS64-@[email protected]"; Parameters: "/S"
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Filename: "{tmp}\mcstas-tools-python-mcdisplay-mantid-NSIS64-@[email protected]"; Parameters: "/S"
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Filename: "{tmp}\mcstas-tools-python-mcdoc-NSIS64-@[email protected]"; Parameters: "/S"
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Filename: "{tmp}\mcstas-mcpl-NSIS64-@[email protected]"; Parameters: "/S"
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Filename: "{tmp}\docupdate.bat";
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; NOTE: Don't use "Flags: ignoreversion" on any shared system files

‎meta-pkgs/windows/McXtrace-metapackage64.iss‎

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@@ -48,7 +48,6 @@ Source: "dist\mcxtrace-tools-python-mxdisplay-webgl-NSIS64-@[email protected]
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Source: "dist\mcxtrace-tools-python-mxdisplay-pyqtgraph-NSIS64-@[email protected]"; DestDir: "{tmp}"
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Source: "dist\mcxtrace-tools-python-mxdisplay-matplotlib-NSIS64-@[email protected]"; DestDir: "{tmp}"
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Source: "dist\mcxtrace-tools-python-mxdoc-NSIS64-@[email protected]"; DestDir: "{tmp}"
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Source: "dist\mcxtrace-mcpl-NSIS64-@[email protected]"; DestDir: "{tmp}"
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Source: "Support\Miniforge3-Windows-x86_64.exe"; DestDir: "{tmp}"
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[Run]
@@ -66,7 +65,6 @@ Filename: "{tmp}\mcxtrace-tools-python-mxdisplay-webgl-NSIS64-@VERSION@-mingw64.
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Filename: "{tmp}\mcxtrace-tools-python-mxdisplay-pyqtgraph-NSIS64-@[email protected]"; Parameters: "/S"
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Filename: "{tmp}\mcxtrace-tools-python-mxdisplay-matplotlib-NSIS64-@[email protected]"; Parameters: "/S"
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Filename: "{tmp}\mcxtrace-tools-python-mxdoc-NSIS64-@[email protected]"; Parameters: "/S"
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Filename: "{tmp}\mcxtrace-mcpl-NSIS64-@[email protected]"; Parameters: "/S"
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Filename: "{tmp}\docupdate.bat";
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; NOTE: Don't use "Flags: ignoreversion" on any shared system files

‎meta-pkgs/windows/environment.yml‎

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Original file line numberDiff line numberDiff line change
@@ -6,6 +6,8 @@ channels:
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dependencies:
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- m2-msys2-runtime
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- m2-which
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- m2-sed
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- m2w64-gcc
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- m2w64-gsl
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- msmpi

‎tools/Python/mcrun/CMakeLists.txt‎

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Original file line numberDiff line numberDiff line change
@@ -90,8 +90,8 @@ install(
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RENAME "${P}run.py"
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)
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# Other .py infrastructure
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foreach(NAME "__init__.py" "log.py" "mccode.py" "optimisation.py" "mcsplit.py")
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# Copy in place .py and other infrastructure
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foreach(NAME "__init__.py" "log.py" "mccode.py" "optimisation.py" "mcsplit.py" "template.ipynb.in")
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install(
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FILES "${PROJECT_SOURCE_DIR}/${NAME}"
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DESTINATION "${DEST_TOOLDIR}/${TOOLS_NAME}"

‎tools/Python/mcrun/jupylab.in‎

Lines changed: 1 addition & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -33,10 +33,9 @@ canrun() {
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if ( canrun ); then
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INSTR=$1 # We can actually assume a single input here
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BASE=`basename ${INSTR} .instr`
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PYINSTR="${BASE}_generated.py"
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JUPYBK="${BASE}_generated.ipynb"
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@FLAVOR@-pygen ${INSTR}
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jupytext --to ipynb ${PYINSTR}
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sed s/INSTRUMENT/${BASE}/g ${UTILDIR}/template.ipynb.in > ${JUPYBK}
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jupyter lab ${JUPYBK}
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else
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@FLAVOR@_errmsg Failed to run Python ${TOOL} - permissions or missing dependencies\?

‎tools/Python/mcrun/template.ipynb.in‎

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@@ -0,0 +1,159 @@
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{
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"cells": [
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{
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"cell_type": "code",
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"execution_count": null,
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"metadata": {},
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"outputs": [],
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"source": [
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"import mcstasscript as ms\n",
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"from INSTRUMENT_generated import make"
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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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"metadata": {},
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"outputs": [],
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"source": [
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"instr=make()"
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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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"metadata": {},
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"outputs": [],
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"source": [
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"# Use instr.settings() to add e.g. seed=1000, ncount=1e7, mpi=8, openacc=True, force_compile=False etc.)"
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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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"metadata": {},
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"outputs": [],
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"source": [
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"# Show diagram\n",
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"instr.show_diagram()"
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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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"metadata": {},
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"outputs": [],
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"source": [
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"# Visualise with default parameters (defaults to 'window'/pyqtgraph visualisation)\n",
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"instr.show_instrument(format='window')"
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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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"metadata": {},
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"outputs": [],
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"source": [
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"# Generate a dataset with default parameters.\n",
58+
"data = instr.backengine()"
59+
]
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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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"metadata": {},
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"outputs": [],
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"source": [
67+
"# Overview plot:\n",
68+
"ms.make_sub_plot(data)"
69+
]
70+
},
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{
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"cell_type": "code",
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"execution_count": null,
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"metadata": {},
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"outputs": [],
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"source": [
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"# Other useful commands follow...\n",
78+
"# One plot pr. window\n",
79+
"#ms.make_plot(data)"
80+
]
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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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"metadata": {},
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"outputs": [],
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"source": [
88+
"# Load another dataset\n",
89+
"#data2 = ms.load_data('some_other_folder')"
90+
]
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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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"metadata": {},
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"outputs": [],
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"source": [
98+
"# Adjusting a specific plot\n",
99+
"#ms.name_plot_options(\\\"PSD_4PI\\\", data, log=1, colormap=\\\"hot\\\", orders_of_mag=5)"
100+
]
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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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"metadata": {},
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"outputs": [],
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"source": [
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"# Bring up the 'interface' - only relevant in Jupyter\n",
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"#%matplotlib widget\n",
110+
"#import mcstasscript.jb_interface as ms_widget\n",
111+
"#ms_widget.show(data)"
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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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"metadata": {},
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"outputs": [],
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"source": [
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"# Bring up the simulation 'interface' - only relevant in Jupyter\n",
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"#%matplotlib widget\n",
122+
"#import mcstasscript.jb_interface as ms_widget\n",
123+
"#sim_widget = ms_widget.SimInterface(instr)\n",
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"#sim_widget.show_interface()"
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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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"metadata": {},
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"outputs": [],
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"source": [
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"# Acessing data from the interface\n",
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"#data = sim_widget.get_data()"
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]
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}
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],
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"metadata": {
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"kernelspec": {
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"display_name": "Python 3 (ipykernel)",
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"language": "python",
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"name": "python3"
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},
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"language_info": {
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"codemirror_mode": {
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"name": "ipython",
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"version": 3
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},
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"file_extension": ".py",
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"mimetype": "text/x-python",
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"name": "python",
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"nbconvert_exporter": "python",
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"pygments_lexer": "ipython3",
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"version": "3.10.14"
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}
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},
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"nbformat": 4,
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"nbformat_minor": 5
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}

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