The R bindings to readCon
MIT License
** Usage #+begin_src R library("readConR") aa <- readConR::readCon("test_data/cuh2.con") aa$prebox_header aa$boxl aa$angles aa$postbox_header aa$natm_types aa$natms_per_type aa$masses_per_type aa$atom_data #+end_src
** Development
*** Setup and Build
#+begin_src bash
micromamba create -f environment.yml
micromamba activate readconr_dev
Rscript -e 'devtools::install(".")'
#+end_src
*** Local Linting
A pre-commit job is setup on CI to enforce consistent styles, so it is best to
set it up locally as well (using [[https://pypa.github.io/pipx][pipx]] for isolation):
#+begin_src sh
pipx run pre-commit run --all-files
pipx run pre-commit install #+end_src