From f71e34df7f92ee26648e7d59758d6a5e9ef4fe91 Mon Sep 17 00:00:00 2001 From: Maximilian Mordig Date: Wed, 1 Nov 2023 14:25:09 +0100 Subject: [PATCH] forgot to include all files --- .github/workflows/build_docker.yml | 2 +- LICENSE | 695 +----------------- README.md | 95 +-- pyproject.toml | 1 + simulator_example.png | Bin 30601 -> 72535 bytes .../cli_usecase/make_html_report.py | 102 +++ tests/simulator/test_simulator.py | 4 +- tests/simulator/test_simulator_server.py | 2 +- usecases/README.md | 112 ++- 9 files changed, 229 insertions(+), 784 deletions(-) create mode 100644 src/simreaduntil/usecase_helpers/cli_usecase/make_html_report.py diff --git a/.github/workflows/build_docker.yml b/.github/workflows/build_docker.yml index 584ce9c..bbe909d 100644 --- a/.github/workflows/build_docker.yml +++ b/.github/workflows/build_docker.yml @@ -129,7 +129,7 @@ jobs: ln -s ../configs/chr202122_run/sampler_per_window configs python ~/ont_project_all/ont_project/usecases/enrich_usecase.py - tar -cvzf figures.tar.gz readfish_run/figures + tar -cvzf figures.tar.gz simulator_run/figures - name: Archive figures uses: actions/upload-artifact@v3 diff --git a/LICENSE b/LICENSE index 20d40b6..a6a1a71 100644 --- a/LICENSE +++ b/LICENSE @@ -1,674 +1,21 @@ - GNU GENERAL PUBLIC LICENSE - Version 3, 29 June 2007 - - Copyright (C) 2007 Free Software Foundation, Inc. - Everyone is permitted to copy and distribute verbatim copies - of this license document, but changing it is not allowed. - - Preamble - - The GNU General Public License is a free, copyleft license for -software and other kinds of works. - - The licenses for most software and other practical works are designed -to take away your freedom to share and change the works. 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If not, see . - -Also add information on how to contact you by electronic and paper mail. - - If the program does terminal interaction, make it output a short -notice like this when it starts in an interactive mode: - - Copyright (C) - This program comes with ABSOLUTELY NO WARRANTY; for details type `show w'. - This is free software, and you are welcome to redistribute it - under certain conditions; type `show c' for details. - -The hypothetical commands `show w' and `show c' should show the appropriate -parts of the General Public License. Of course, your program's commands -might be different; for a GUI interface, you would use an "about box". - - You should also get your employer (if you work as a programmer) or school, -if any, to sign a "copyright disclaimer" for the program, if necessary. -For more information on this, and how to apply and follow the GNU GPL, see -. - - The GNU General Public License does not permit incorporating your program -into proprietary programs. If your program is a subroutine library, you -may consider it more useful to permit linking proprietary applications with -the library. If this is what you want to do, use the GNU Lesser General -Public License instead of this License. But first, please read -. \ No newline at end of file +MIT License + +Copyright (c) 2023 Maximilian Mordig, Andre Kahles, Gunnar Raetsch + +Permission is hereby granted, free of charge, to any person obtaining a copy +of this software and associated documentation files (the "Software"), to deal +in the Software without restriction, including without limitation the rights +to use, copy, modify, merge, publish, distribute, sublicense, and/or sell +copies of the Software, and to permit persons to whom the Software is +furnished to do so, subject to the following conditions: + +The above copyright notice and this permission notice shall be included in all +copies or substantial portions of the Software. + +THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR +IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, +FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE +AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER +LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, +OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE +SOFTWARE. diff --git a/README.md b/README.md index cb570de..716256e 100644 --- a/README.md +++ b/README.md @@ -9,7 +9,53 @@ This repository provides a simulator for an ONT device controlled by the ReadUnt The code is well-tested with `pytest` and an example usecase combining the simulator with ReadFish and NanoSim is provided. Access the documentation [here](https://ratschlab.github.io/sim_read_until/). -See below for a [quick start](#quick-start). +A video for the CLI interface of the simulator (as described in [usecases](usecases/README.md)) is available here: [CLI interface Youtube](https://youtu.be/8GDTD4Memes) +See below for an [overview](#overview). + +## Quick Start + +Clone the repository, install the virtual environment and run the usecase, as explained below. + +### Installation and Setup + +We have tested the code with python3.10 and python3.8 on Linux and Mac OS X, so try to use it: +```{bash} +# create a shared directory: +mkdir ~/ont_project_all +cd ~/ont_project_all + +git clone --depth 1 git@github.com:ratschlab/sim_read_until.git ont_project +# the NanoSim repository (integrated as a submodule here) is quite large (2Gb) due to pre-computed models, so we omit it here +# if you want it, do: git clone --recurse-submodules git@github.com:ratschlab/sim_read_until.git ont_project + +# conda deactivate # if you have a conda environment activated, including base env +python3.10 -m venv ont_project_venv +source ~/ont_project_all/ont_project_venv/bin/activate +pip install --upgrade pip +pip install ont_project/ +pip install --upgrade seaborn +``` + +Take a look at the directory [usecase](usecases/) to run some example usecases. + +If the installation fails due to dependency issues, you can alternatively run it as a Docker image that comes with the dependencies and runs Jupyter lab: +```{bash} +# to update the Docker image if a new one was published +# note: it may not always be up-to-date with the main branch, check the release date online +docker pull ghcr.io/ratschlab/sim_read_until:main_dev + +cd ~/ont_project_all +./ont_project/start_docker_container.sh +# to see the options +# ./ont_project/start_docker_container.sh -h +``` +Several Docker containers can run in parallel, provided you modify the port and container name via the options `-n` and `-p`. + +**Note**: Conda is not officially supported, but you can set up your environment with: +```{bash} +conda create -y -n ont_project_venv python=3.10 pip +``` +Some scripts activate the virtual environment, so you have to change it to `conda activate ont_project_venv`. ## Overview @@ -57,52 +103,7 @@ The repository contains the following directories (as submodules): - `runs`: for local runs; in `.gitignore` - `apidocs`: location for API docs; in `.gitignore` -## Quick Start - -Clone the repository, install the virtual environment and run the usecase, as explained below. - -### Installation and Setup - -We have tested the code with python3.10 and python3.8, so try to use it: -```{bash} -# create a shared directory: -mkdir ~/ont_project_all -cd ~/ont_project_all - -git clone --depth 1 git@github.com:ratschlab/sim_read_until.git ont_project -# the NanoSim repository (integrated as a submodule here) is quite large (2Gb) due to pre-computed models, so we omit it here -# if you want it, do: git clone --recurse-submodules git@github.com:ratschlab/sim_read_until.git ont_project - -# conda deactivate # if you have a conda environment activated, including base env -python3.10 -m venv ont_project_venv -source ~/ont_project_all/ont_project_venv/bin/activate -pip install --upgrade pip -pip install ont_project/ -pip install --upgrade seaborn -``` - -Take a look at the directory [usecase](usecases/) to run some example usecases. - -If the installation fails due to dependency issues, you can alternatively run it as a Docker image that comes with the dependencies and runs Jupyter lab: -```{bash} -# to update the Docker image if a new one was published -# note: it may not always be up-to-date with the main branch, check the release date online -docker pull ghcr.io/ratschlab/sim_read_until:main_dev - -cd ~/ont_project_all -./ont_project/start_docker_container.sh -# to see the options -# ./ont_project/start_docker_container.sh -h -``` -Several Docker containers can run in parallel, provided you modify the port and container name via the options `-n` and `-p`. - -**Note**: Conda is not officially supported, but you can set up your environment with: -```{bash} -conda create -y -n ont_project_venv python=3.10 pip -``` -Some scripts activate the virtual environment, so you have to change it to `conda activate ont_project_venv`. - -### Comparison with UNCALLED +## Comparison with UNCALLED We tried comparing with UNCALLED, but it didn't work due to a segmentation fault without any useful error message, see [uncalled_comparison](uncalled_comparison.md) for details. According to the authors, the UNCALLED simulator is superseeded by the recent tool Icarust, which is a tool that addresses a similar setting as we do. diff --git a/pyproject.toml b/pyproject.toml index 02dc9a3..724d1a7 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -81,6 +81,7 @@ usecase_generate_random_reads = "simreaduntil.usecase_helpers.cli_usecase.genera simulator_server_cli = "simreaduntil.usecase_helpers.cli_usecase.simulator_server_cli:main" usecase_simulator_client_cli = "simreaduntil.usecase_helpers.cli_usecase.simulator_client_cli:main" sim_plots_cli = "simreaduntil.usecase_helpers.cli_usecase.sim_plots_cli:main" +usecase_make_html_report = "simreaduntil.usecase_helpers.cli_usecase.make_html_report:main" [project.urls] diff --git a/simulator_example.png b/simulator_example.png index 636fff9ed5aebead64d063843e341ef7b8255bac..7478122559e4c1fccefdd16c1db4dc6dc4a40ca5 100644 GIT binary patch literal 72535 zcmeFZbySsG`!)&)3J3xUqBK$>-5r8-Nq2X5m$Z@!N{0dhN_T^FcX#I^q#M4uaBufM 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ztQv;Tt3APfy;KZImKclbgNWDDHf(i!_KZQ=T6e2Lqq8{@U{EV od%^IZVI2QJ#r$Vp=Jm8ddWVzD%Af^$bTN#tRsRzI)rs%^AHCCX761SM diff --git a/src/simreaduntil/usecase_helpers/cli_usecase/make_html_report.py b/src/simreaduntil/usecase_helpers/cli_usecase/make_html_report.py new file mode 100644 index 0000000..03457c8 --- /dev/null +++ b/src/simreaduntil/usecase_helpers/cli_usecase/make_html_report.py @@ -0,0 +1,102 @@ +""" +Make an overview page from all figures in the directory +""" +import argparse +import logging +from pathlib import Path +import sys +from simreaduntil.shared_utils.logging_utils import add_comprehensive_stream_handler_to_logger, setup_logger_simple +from simreaduntil.shared_utils.utils import print_args + +logger = setup_logger_simple(__name__) +"""module logger""" + +mainpage_template = r""" + + + + Generated Figures + + + +

Generated Figures

+ + {FIGURES_HTML} + + + +""" +figure_template = r""" +

{figure_name}

+
+ +
+
+ +""" + +def parse_args(args=None): + parser = argparse.ArgumentParser(description="Combine images into html report") + parser.add_argument("figure_dir", type=Path, help="Directory containing figures (.png files)") + + args = parser.parse_args(args) + print_args(args, logger=logger) + return args + +def main(): + log_level = logging.DEBUG + logging.getLogger(__name__).setLevel(log_level) # log level of this script (running as __main__) + add_comprehensive_stream_handler_to_logger(None, level=log_level) + + args = parse_args() + + figure_dir = args.figure_dir + assert figure_dir.exists(), f"figure_dir '{figure_dir}' does not exist" + + figure_htmls = "" + for filename in figure_dir.glob("*.png"): + logger.info(f"Adding '{filename}'") + # using relative path wrt to final file! + figure_htmls += figure_template.format(figure_name=filename.name, figure_filename=filename.name) + + html_filename = figure_dir / "figures.html" + with open(html_filename, "w") as f: + f.write(mainpage_template.replace("{FIGURES_HTML}", figure_htmls)) + + +# template +# +# +# +# Generated Figures +# +# +# +#

Generated Figures

+ +#

nb_basepairs_recrej_per_channel.png

+#
+# +#
+#
+ +# +# \ No newline at end of file diff --git a/tests/simulator/test_simulator.py b/tests/simulator/test_simulator.py index 43534dc..213ea8b 100644 --- a/tests/simulator/test_simulator.py +++ b/tests/simulator/test_simulator.py @@ -7,6 +7,7 @@ import numpy as np import matplotlib.pyplot as plt import dill +from simreaduntil.shared_utils.merge_axes import save_fig_and_pickle from simreaduntil.shared_utils.timing import cur_ns_time from simreaduntil.simulator import channel @@ -215,6 +216,7 @@ def test_random_ops_synchronous(simulator, async_mode, channel_write_zero_length # make all elements roughly the same length, reads have length 8-17 -> take about 1.2s sim_params = SimParams( gap_samplers={f"channel_{i}": ConstantGapsUntilBlocked(short_gap_length=1.2, long_gap_length=1.2, prob_long_gap=0.35, time_until_blocked=200, read_delay=0) for i in range(2)}, + # gap_samplers={f"channel_{i}": ConstantGapsUntilBlocked(short_gap_length=1.2, long_gap_length=5.2, prob_long_gap=0.25, time_until_blocked=200, read_delay=0) for i in range(2)}, bp_per_second=10, chunk_size=4, default_unblock_duration=1.2, seed=0, ) @@ -249,7 +251,7 @@ def get_read_and_save_id(): if nb_actions["forward"] > 0: pass # print(1) - # ax = simulator.plot_channels(); import matplotlib.pyplot as plt; plt.show(block=True); save_fig_and_pickle(ax.figure, "simulator_example.png"); #note: for README.md figure, zoom into appropriate region, then save the figure, keep it commented out + # ax = simulator.plot_channels(); import matplotlib.pyplot as plt; plt.show(block=True); #save_fig_and_pickle(ax.figure, "simulator_example.png"); #note: for README.md figure, zoom into appropriate region, then save the figure, keep it commented out simulator.stop() if async_mode else simulator.sync_stop() check_simulator_actions_agree_with_reads_writer(simulator, cum_nb_actions, check_nb_rejected=(j==0)) diff --git a/tests/simulator/test_simulator_server.py b/tests/simulator/test_simulator_server.py index a306648..e68a926 100644 --- a/tests/simulator/test_simulator_server.py +++ b/tests/simulator/test_simulator_server.py @@ -103,7 +103,7 @@ def test_launchable_device_grpc_server(): stub.GetActionResults(ont_device_pb2.ActionResultsRequest(clear=True)) - assert stub.StartSim(ont_device_pb2.StartRequest(acceleration_factor=2)).value + assert stub.StartSim(ont_device_pb2.StartRequest(acceleration_factor=2, update_method="realtime", log_interval=10)).value # unblocking inexistent read assert not stub.PerformActions(ont_device_pb2.ReadActionsRequest(actions=[ diff --git a/usecases/README.md b/usecases/README.md index 294e5f5..3fee734 100644 --- a/usecases/README.md +++ b/usecases/README.md @@ -1,5 +1,7 @@ # CLI Usecase +A video of this usecase is available here: [CLI interface Youtube](https://youtu.be/8GDTD4Memes) + Here, we show how to use the simulator with the CLI interface and provide an example client that randomly decides what action to take. Note that the client does not use the official ReadUntil API as our setup is slightly different. Since our tool is for research, SSL encryption is not needed (as of now), we restrict to only the essential ReadUntil API methods and the API returns basecalled rather than raw chunks (raise an issue if you want it added). @@ -32,6 +34,9 @@ Create plots with: sim_plots_cli example_run --verbosity info plot_seqsum example_run/sequencing_summary.txt --save_dir example_run/figures/ # also possible to plot coverage of a reference by providing relevant args to "plot_seqsum" + +# put all into an overview html page +usecase_make_html_report example_run/figures/ && open example_run/figures/figures.html ``` Typically, you can leave the server cli script as it is, but want to modify the client and input reads. @@ -46,12 +51,10 @@ Activate the environment and start jupyter lab: ```{bash} source ~/ont_project_all/ont_project_venv/bin/activate cd ~/ont_project_all/ont_project -jupyter lab +jupyter lab # for convenience ``` -## Setup - -### TLDR +### Setup (Data + Extra Dependencies) You can get the data and install the dependencies with: ```{bash} @@ -72,60 +75,33 @@ cd .. # install ReadFish git submodule update --init --depth 1 external/ont_readfish source ~/ont_project_all/ont_project_venv/bin/activate -pip install -e './[readfish]' +pip install -e './[readfish]' # -e for dev version -# optional: install NanoSim and minimap2 +# optional: install NanoSim and minimap2, but the usecase also works without # git submodule update --init --depth 1 external/ont_nanosim # bash usecases/install_usecase_deps.sh - -# adapt config in ~/ont_project_all/ont_project/usecases/configs/ to fit your setup -~/ont_project_all/ont_project/usecases/replicate_run_submission.sh "sampler_per_rolling_window_channel" -~/ont_project_all/ont_project/usecases/enrich_usecase_submission.sh ``` -You may want to check out the Docker image as described in the `README.md` in the repo root, if it does not work. - -### Explanation - -We provide more details: +You may want to check out the Docker image as described in the `README.md` in the repo root, if the installation does not work. +See below for how the data was obtained. +After possibly adapting the config files at `~/ont_project_all/ont_project/usecases/configs/`, you can run the usecases described further below: ```{bash} -cd ~/ont_project_all/ont_project -mkdir runs && cd runs -mkdir data && cd data -curl https://s3-us-west-2.amazonaws.com/human-pangenomics/T2T/CHM13/assemblies/analysis_set/chm13v2.0.fa.gz -O -wget https://labshare.cshl.edu/shares/schatzlab/www-data/UNCALLED/simulator_files/20190809_zymo_seqsum.txt.gz -# gz file slow to read and write, so we uncompress it -gunzip 20190809_zymo_seqsum.txt.gz - -source ~/ont_project_all/ont_project_venv/bin/activate -normalize_fasta "chm13v2.0.fa.gz" "chm13v2.0_normalized3chroms.fa.gz" --seq_names "chr20,chr21,chr22" -normalize_fasta "chm13v2.0.fa.gz" "chm13v2.0_normalized.fa.gz" -cd .. - -mkdir enrich_usecase && cd enrich_usecase -ln -s ~/ont_project_all/ont_project/usecases/configs/enrich_usecase configs -ln -s ../data data -cd .. - -mkdir run_replication && cd run_replication -ln -s ~/ont_project_all/ont_project/usecases/configs/run_replication configs -ln -s ../data data +~/ont_project_all/ont_project/usecases/replicate_run_submission.sh "sampler_per_rolling_window_channel" +~/ont_project_all/ont_project/usecases/enrich_usecase_submission.sh ``` -If you want to run the usecase, install the dependencies with: -```{bash} -source ~/ont_project_all/ont_project_venv/bin/activate -pip install -e './[readfish]' -git submodule update --init --depth 1 external/ont_readfish -``` +## Enrichment with ReadFish -Optionally, to install minimap2 and NanoSim as well: -```{bash} -# you need to have conda or mamba installed -git submodule update --init --depth 1 external/ont_nanosim -bash usecases/install_usecase_deps.sh -``` +This combines `ReadFish` with the `SimReadUntil` simulator. Reads are generated on the fly by sampling read start position, length and strand. With this ground-truth information, the alignment step in ReadFish can be accelerated which is useful when we accelerate the run by a factor of 10 where minimap2 alignment may otherwise become a bottleneck. +Alternatively, a reads file can be provided by adding `reads_file = ` to the simulator config. +If the read ids are NanoSim ids with ground-truth alignment information, `minimap2` is not needed. Alternatively, a minimap2 reference index can be provided by adding it in the ReadFish config file. The index itself can be created by uncommenting the line `create_minimap_index_if_inexistent` in the usecase file. + +Files: +- `enrich_usecase.py`: end-to-end script that runs an enrichment with ReadFish connected to the simulator, see the instructions in that file +- `enrich_usecase_submission.sh`: condor submission script, can also be run locally +- `install_usecase_deps.sh`: to install `minimap2` and `NanoSim` (optional), launch it from the repo root +- `create_nanosim_reads.ipynb`: notebook to create NanoSim reads that can be fed into the simulator by modifying the config file ## Parameter Extraction from an Existing Run @@ -149,18 +125,6 @@ We check from the back whether any of the files already exists and use the exist Make sure to delete the appropriate files when changing relevant parameters. When running several configurations in parallel and some cache files do not exist, make sure they don't get created by different processes at the same time. -## Enrichment with ReadFish - -This combines `ReadFish` with the `SimReadUntil` simulator. Reads are generated on the fly by sampling read start position, length and strand. With this ground-truth information, the alignment step in ReadFish can be accelerated which is useful when we accelerate the run by a factor of 10 where minimap2 alignment may otherwise become a bottleneck. -Alternatively, a reads file can be provided by adding `reads_file = ` to the simulator config. -If the read ids are NanoSim ids with ground-truth alignment information, `minimap2` is not needed. Alternatively, a minimap2 reference index can be provided by adding it in the ReadFish config file. The index itself can be created by uncommenting the line `create_minimap_index_if_inexistent` in the usecase file. - -Files: -- `enrich_usecase.py`: end-to-end script that runs an enrichment with ReadFish connected to the simulator, see the instructions in that file -- `enrich_usecase_submission.sh`: condor submission script, can also be run locally -- `install_usecase_deps.sh`: to install `minimap2` and `NanoSim` (optional), launch it from the repo root -- `create_nanosim_reads.ipynb`: notebook to create NanoSim reads that can be fed into the simulator by modifying the config file - ## Other Files These files are for our own reference and may not work for you out of the box: @@ -170,3 +134,31 @@ These files are for our own reference and may not work for you out of the box: - `prepare_small_refgenome.py`: to create a small reference genome for the usecase - `results_preparation.md`: commands to create the results in the paper - `plot_existing_seqsum_submission.sh`: condor submission script, can also be run locally + +## How the data was obtained + +We provide more details on how the usecase data was created that you downloaded before. You do not need to run this. + +```{bash} +cd ~/ont_project_all/ont_project +mkdir runs && cd runs +mkdir data && cd data +curl https://s3-us-west-2.amazonaws.com/human-pangenomics/T2T/CHM13/assemblies/analysis_set/chm13v2.0.fa.gz -O +wget https://labshare.cshl.edu/shares/schatzlab/www-data/UNCALLED/simulator_files/20190809_zymo_seqsum.txt.gz +# gz file slow to read and write, so we uncompress it +gunzip 20190809_zymo_seqsum.txt.gz + +source ~/ont_project_all/ont_project_venv/bin/activate +normalize_fasta "chm13v2.0.fa.gz" "chm13v2.0_normalized3chroms.fa.gz" --seq_names "chr20,chr21,chr22" +normalize_fasta "chm13v2.0.fa.gz" "chm13v2.0_normalized.fa.gz" +cd .. + +mkdir enrich_usecase && cd enrich_usecase +ln -s ~/ont_project_all/ont_project/usecases/configs/enrich_usecase configs +ln -s ../data data +cd .. + +mkdir run_replication && cd run_replication +ln -s ~/ont_project_all/ont_project/usecases/configs/run_replication configs +ln -s ../data data +```