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Merge branch 'main' into add_HOOMD_burst_example
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DomFijan authored Jul 8, 2024
2 parents bc17a25 + ead4ad6 commit 6665029
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3 changes: 1 addition & 2 deletions docs/citing.rst
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Expand Up @@ -6,8 +6,7 @@ Please acknowledge the use of this software within the body of your publication

*Event detection for this publication used the dupin library[1].*

The following is a BibTex citation for the current pre-print.
Before submitting please check to see if this has been updated with the submitted journal paper::
The following is a BibTex citation for the dupin paper::

@article{butler2023change,
title = {Change point detection of events in molecular simulations using dupin},
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4 changes: 2 additions & 2 deletions docs/module-preprocessing-signal.rst
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Expand Up @@ -8,12 +8,12 @@ dupin.preprocessing.signal
.. autosummary::
:nosignatures:

fft_smoothing
high_frequency_smoothing
moving_average

.. rubric:: Details

.. automodule:: dupin.preprocessing.signal
:synopsis: Functions for transforming feature signals across time.
:members: fft_smoothing,
:members: high_frequency_smoothing,
moving_average
2 changes: 2 additions & 0 deletions docs/tutorials.rst
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Expand Up @@ -6,4 +6,6 @@ Tutorials
:maxdepth: 1

/tutorials/00-Introducing-dupin/00-index
/tutorials/01-Custom-generators/Custom-generator
/tutorials/02-HOOMD-burst-writer-with-online-detection/HOOMD-burst-with-online
/tutorials/03-Logging-particles-undergoing-detection/Logging-particles-example
4 changes: 2 additions & 2 deletions docs/tutorials/00-Introducing-dupin/03-collecting-data.ipynb
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Expand Up @@ -33,7 +33,7 @@
"\n",
"import dupin as du\n",
"\n",
"FILENAME = \"lj-sim.gsd\""
"FILENAME = \"../data/lj-sim.gsd\""
]
},
{
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" for frame in traj:\n",
" signal_aggregator.accumulate(frame, nlist_kwargs)\n",
"df = signal_aggregator.to_dataframe()\n",
"df.to_hdf(\"./lj-data.h5\", \"data\")\n",
"df.to_hdf(\"lj-data.h5\", \"data\")\n",
"display_dataframe(df)"
]
},
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458 changes: 458 additions & 0 deletions docs/tutorials/01-Custom-generators/Custom-generator.ipynb

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