use std::fs::File; use std::io::BufReader; use velvet_external_data::poscar::load_poscar; use velvet_test_utils as test_utils; #[test] fn argon() { let file = File::open(test_utils::resources_path("argon.poscar")).unwrap(); let reader = BufReader::new(file); let sys = load_poscar(reader); println!("{:?}", sys.cell()); let a0 = 21.152895; assert_eq!(sys.size(), 108); assert_eq!(sys.cell().a(), a0); assert_eq!(sys.cell().b(), a0); assert_eq!(sys.cell().c(), a0); assert_eq!(sys.cell().alpha(), 90.0); assert_eq!(sys.cell().beta(), 90.0); assert_eq!(sys.cell().gamma(), 90.0); }