Commit 5cf4f49b authored by Emmanuel Bresso's avatar Emmanuel Bresso

remove H test added

parent fc840f90
Pipeline #75131 passed with stages
in 2 minutes and 23 seconds
......@@ -81,3 +81,10 @@ fn mass_center_5jpq() {
}
assert_eq!([237.98595, 241.93814, 231.15921], pdbparser::center_of_mass(atoms))
}
#[test]
fn remove_hydrogens_f2(){
let my_struct = pdbparser::read_pdb("tests/tests_file/f2.pdb", "f2");
let ss_h = my_struct.remove_h().unwrap();
assert_eq!(541, ss_h.get_atom_number());
}
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