Mercurial > repos > tduigou > rrparser
changeset 3:dd0dfd2cb8a8 draft
planemo upload commit 9c19f737cd6e2152151c8bf97a53ab1afe51a4a0
author | tduigou |
---|---|
date | Mon, 03 Apr 2023 11:37:18 +0000 |
parents | 092545561208 |
children | 71ee7ebb4a67 |
files | LICENSE README.md config/job_conf.xml config/tool_conf.xml rrparser.xml |
diffstat | 5 files changed, 102 insertions(+), 4 deletions(-) [+] |
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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/LICENSE Mon Apr 03 11:37:18 2023 +0000 @@ -0,0 +1,22 @@ +MIT License + +Copyright (c) 2020 Jean-Loup Faulon's group & INRA +Copyright (c) 2020 University of Evry / Paris-Saclay + +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.
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/README.md Mon Apr 03 11:37:18 2023 +0000 @@ -0,0 +1,71 @@ +# RRulesParser Galaxy wrapper + +The open-source software package RRulesParser is available here : https://github.com/brsynth/RRParser + +## Installing + +* Create a new section in the Galaxy config file `config/tool_conf.xml` and paste the following: +``` +<section id="sbc-rs" name="SynBioCAD RetroSynthesis"> + <tool file="synbiocad-galaxy-wrappers/RRulesParser/wrap.xml" /> +</section> +``` + +* Make sure that the following entry exists under Galaxy's destination tag in `config/job_conf.xml`: +``` +<destination id="local" runner="local" /> +``` + +And that the destination of the tool is referred under the tools tag in `config/job_conf.xml`: + +``` +<tool id="RRulesParser" destination="local" /> +``` + +## How to run RRulesParser wrapper tests + +In order to execute tests on RRulesParser wrapper, you need to: + + - Connect to your galaxy instance in interactive mode: + + ```bash + docker exec -it -u root galaxy_galaxy_1 bash + ``` + - Copy all the contents of `test-data` folder into your own test-data directory which is located in your local galaxy instance : `/galaxy/test-data`. It contains all the input files and expected output files needed for the tests. + + - Install Planemo: + You can see here the documentation for Planemo Installation : https://planemo.readthedocs.io/en/latest/installation.html + Note that they recommand to install Planemo by setting up a virtual environment: + + ```bash + python3 -m venv planemo + . planemo/bin/activate + pip install -U planemo + ``` + + Upgrade pip if needed. + + - run the tests: + + ```bash + planemo test --conda_channels conda-forge tools/synbiocad-galaxy-wrappers/RRulesParser/wrap.xml --biocontainers --no_conda_auto_init + ``` + + IMPORTANT: Maybe you will need to remove CONDA from your PATH for the command `planemo test` to run correctly. To do that, you can edit this file `~/.bashrc`, comment this line `PATH="/root/anaconda3/bin:$PATH"` and save changes. + + Planemo will output an html test summary `tool_test_output.html`. + +## Built With + +* [Galaxy](https://galaxyproject.org) - The Galaxy project + + +## Authors + +* Melchior du Lac +* Joan Hérisson +* Thomas Duigou + +## License + +This project is licensed under the MIT License - see the [LICENSE.md](LICENSE.md) file for details
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/config/job_conf.xml Mon Apr 03 11:37:18 2023 +0000 @@ -0,0 +1,1 @@ + <tool id="rrparser" destination="local" />
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/config/tool_conf.xml Mon Apr 03 11:37:18 2023 +0000 @@ -0,0 +1,3 @@ + <section id="sbc-rs" name="SynBioCAD RetroSynthesis"> + <tool file="synbiocad-galaxy-wrappers/rrparser/rrparser.xml" /> + </section>
--- a/rrparser.xml Tue Jun 21 14:40:08 2022 +0000 +++ b/rrparser.xml Mon Apr 03 11:37:18 2023 +0000 @@ -2,7 +2,7 @@ <description>Retrieve the reaction rules from RetroRules</description> <macros> <token name="@VERSION_SUFFIX@">0</token> - <token name="@TOOL_VERSION@">2.4.6</token> + <token name="@TOOL_VERSION@">2.5.0</token> </macros> <requirements> <requirement type="package" version="@TOOL_VERSION@">rrparser</requirement> @@ -14,14 +14,15 @@ <command detect_errors="exit_code"><![CDATA[ python -m rrparser #if str($rules.type) != "rules-file": - retrorules + --rules_file retrorules --rule-type '$rules.type' #else: - '$rules.file' + --rules_file '$rules.file' --input-format '$rules.input_format' #end if --diameters '$diameters' --output-format csv + --rules-dir "\${TMPDIR:-.}" #if str($compress) == "true": --outfile '$out_rules'.csv.gz && mv '$out_rules'.csv.gz '$out_rules' @@ -107,7 +108,7 @@ Version ------- -v2.4.6 +v2.5.0 Authors -------