Source: r-cran-crystract
Section: gnu-r
Priority: optional
Maintainer: Debian R Packages Maintainers <r-pkg-team@alioth-lists.debian.net>
Uploaders: Andrius Merkys <merkys@debian.org>
Vcs-Browser: https://salsa.debian.org/r-pkg-team/r-cran-crystract
Vcs-Git: https://salsa.debian.org/r-pkg-team/r-cran-crystract.git
Homepage: https://cran.r-project.org/package=crystract
Standards-Version: 4.6.2
Rules-Requires-Root: no
Build-Depends: debhelper-compat (= 13),
               dh-r,
               r-base-dev,
               r-cran-data.table,
               r-cran-dplyr,
               r-cran-stringr,
               r-cran-future,
               r-cran-future.apply,
               r-cran-geometry
Testsuite: autopkgtest-pkg-r

Package: r-cran-crystract
Architecture: all
Depends: ${R:Depends},
         ${misc:Depends}
Recommends: ${R:Recommends}
Suggests: ${R:Suggests}
Description: Crystallographic Information File (CIF) Data Processing Tools
 Provides a suite of functions to parse Crystallographic Information
 Files (.cif), extracting essential data such as chemical formulas, unit cell
 parameters, atomic coordinates, and symmetry operations. It also includes
 tools to calculate interatomic distances, identify bonded pairs using various
 algorithms (minimum_distance, brunner_nn_reciprocal, econ_nn, crystal_nn),
 determine nearest neighbor counts, and calculate bond angles. The package is
 designed to facilitate the preparation of crystallographic data for further
 analysis, including machine learning applications in materials science.