Commit b90ed716 authored by NOEL Philippe's avatar NOEL Philippe

add documentation in residue

parent bb1742c6
......@@ -8,6 +8,17 @@ pub struct Residue {
}
impl Residue {
/// Create a new Residue structure with an empty list of atom.
/// The Residue have a name and a number
///
/// # Examples
///
/// ````
/// use pdbparser;
///
/// let lys = pdbparser::Residue::new(String::from("lysine"), 1);
///
/// ````
pub fn new(name: String, res_num: u64) -> Residue {
Residue {
name,
......@@ -16,16 +27,43 @@ impl Residue {
}
}
/// Get the number of the residue
pub fn get_res_num(&self) -> u64 {
self.res_num
}
/// Get the number of Atom in the Residue
///
/// # Examples
///
/// ````
/// use pdbparser;
///
/// let lys = pdbparser::Residue::new(String::from("lysine"), 1);
/// assert_eq!(0, lys.get_number_atom());
///
/// ````
pub fn get_number_atom(&self) -> u64 {
self.lst_atom.len() as u64
}
pub fn add_atom(&mut self, atom_name: String, atom_number: u64, coord: [f32; 3]) {
self.lst_atom.push(Atom::new(atom_name, atom_number, coord));
/// Add an Atom structure to the Residue
///
/// # Examples
///
/// ````
/// use pdbparser;
///
/// let mut lys = pdbparser::Residue::new(String::from("lysine"), 1);
/// let carbon = pdbparser::Atom::new(String::from("HT1"), 1, [0.0, 0.0, 0.0]);
///
/// lys.add_atom(carbon);
///
/// assert_eq!(1, lys.get_number_atom());
///
/// ````
pub fn add_atom(&mut self, a: Atom) {
self.lst_atom.push(a);
}
}
\ No newline at end of file
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