Package: chents
Type: Package
Title: Chemical Entities as R Objects
Version: 0.4.2
Date: 2026-07-03
Authors@R: c(person("Johannes", "Ranke", role = c("aut", "cre", "cph"),
                    email = "johannes.ranke@jrwb.de"))
Description: When working with data on chemical substances, we often
        need a reliable link between the data and the chemical identity
        of the substances. The R package 'chents' provides a way to
        define an R object corresponding to a chemically defined
        substances, i.e. a chemical entity and to collect related
        information. If Python and 'RDKit' (> 2015.03) are installed
        and configured for use with 'reticulate', some basic
        chemoinformatics functions like the calculation of molecular
        weight and plotting of chemical structures in R graphics are
        available.
Imports: webchem, R6, yaml, rsvg, grImport, reticulate
Suggests: knitr, testthat (>= 3.0.0), covr, devEMF
License: GPL
LazyLoad: yes
Encoding: UTF-8
URL: https://pkgdown.jrwb.de/chents/, https://github.com/jranke/chents
Roxygen: list(markdown = TRUE, r6 = TRUE)
Config/testthat/edition: 3
Config/roxygen2/version: 8.0.0
Config/pak/sysreqs: libicu-dev libpng-dev librsvg2-dev libxml2-dev
        libssl-dev python3
Repository: https://agroscope-ch.r-universe.dev
Date/Publication: 2026-07-03 11:56:06 UTC
RemoteUrl: https://github.com/jranke/chents
RemoteRef: HEAD
RemoteSha: 7c84d4ac9d1178717fba6d1f0c988c8ed2834980
NeedsCompilation: no
Packaged: 2026-07-03 12:09:40 UTC; root
Author: Johannes Ranke [aut, cre, cph]
Maintainer: Johannes Ranke <johannes.ranke@jrwb.de>