use-electron-shell 0.1.0

Simple electron shell distribution helpers for RustUse chemistry crates
Documentation
  • Coverage
  • 100%
    5 out of 5 items documented2 out of 5 items with examples
  • Size
  • Source code size: 10.26 kB This is the summed size of all the files inside the crates.io package for this release.
  • Documentation size: 298.36 kB This is the summed size of all files generated by rustdoc for all configured targets
  • Ø build duration
  • this release: 27s Average build duration of successful builds.
  • all releases: 27s Average build duration of successful builds in releases after 2024-10-23.
  • Links
  • Homepage
  • RustUse/use-chemistry
    1 0 0
  • crates.io
  • Dependencies
  • Versions
  • Owners
  • CloudBranch

use-electron-shell

use-electron-shell is intentionally simple. It does not model full electron configurations, orbital ordering nuance, or transition-metal valence chemistry.

Surface

Item Purpose
electron_shells() Shell population list for an atomic number
shell_count() Number of occupied shells in the static distribution
outer_shell_electrons() Electrons in the outermost occupied shell
valence_electrons_main_group() Conservative valence helper for main-group elements only

Example

use use_electron_shell::{electron_shells, valence_electrons_main_group};

assert_eq!(electron_shells(11), Some(vec![2, 8, 1]));
assert_eq!(valence_electrons_main_group(17), Some(7));
assert_eq!(valence_electrons_main_group(26), None);