add documentation in residue

src/pdb/residue.rs

@@ -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);
     }
 
 }
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