guide.md

Environment Setup

mamba env create -f conda-env.yml -n mod-site
conda activate mod-site

Update Environment

mamba env update -n mod-site --file conda-env.yml

arguments description

compound arguments, description, type and default value

• mz_tolerance: mass tolerance for matching | float | 0.01

documentation

to make the documentation: pip install sphinx sphinx-autobuild pip install nbsphinx pip install myst-parser pip install sphinx-rtd-theme

Convert jupyter files to md files jupyter nbconvert --to markdown xx.ipynb

run the server for local developement of the readme python -m http.server 3000

make the docs: make html

auto generate docs: sphinx-apidoc -o source/utilities_doc ../modifinder/utilities/ -e --tocfile index

testing

python -m unittest discover -s tests