This is a companion repository to the readCon containing R bindings.
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_datamicromamba create -f environment.yml
micromamba activate readconr_dev
Rscript -e 'devtools::install(".")'A pre-commit job is setup on CI to enforce consistent styles, so it is best to
set it up locally as well (using pipx for isolation):
# Run before commiting
pipx run pre-commit run --all-files
# Or install the git hook to enforce this
pipx run pre-commit installMIT.