extern crate xyzio;

use std::fs::File;
use xyzio::{Atom, Reader};

#[test]
fn test_read_ferric_oxide() {
    let input = File::open("xyz/ferric_oxide.xyz").unwrap();
    let mut reader = Reader::new(input);
    let result = reader.read_snapshot();
    assert!(result.is_ok());
    let snapshot = result.unwrap();
    assert_eq!(5, snapshot.size());
    assert_eq!(Atom::new("Fe", -0.7145, 0.4125, 0.0000),
               snapshot.atoms[0]);
    assert_eq!(Atom::new("Fe",  0.7145, 0.4125, 0.0000),
               snapshot.atoms[1]);
    assert_eq!(Atom::new("O",   0.0000, 0.0000, 0.0000),
               snapshot.atoms[2]);
    assert_eq!(Atom::new("O",   1.4289, 0.0000, 0.0000),
               snapshot.atoms[3]);
    assert_eq!(Atom::new("O",  -1.4290, 0.0000, 0.0000),
               snapshot.atoms[4]);
}