Eliminate build warnings

src/ringo/molecule/smiles/reader/atom.rs

@@ -11,8 +11,7 @@ pub(crate) fn parse_atom(input: &str) -> IResult<&str, Atom> {
     let mut isotope: Option<u8> = None;
     let mut charge: Option<i8> = None;
     let mut hs: Option<u8> = None;
-    let mut atomic_number = 0;
-
+    let atomic_number: u8;
     let (mut input, sqro_found) = opt(nom::character::complete::char('['))(input)?;
     if sqro_found.is_some() {
         (input, isotope) = opt(parse_isotope)(input).unwrap_or((input, None));
@@ -21,7 +20,7 @@ pub(crate) fn parse_atom(input: &str) -> IResult<&str, Atom> {
     if sqro_found.is_some() {
         (input, hs) = opt(parse_hydrogens)(input).unwrap_or((input, None));
         (input, charge) = opt(parse_charge)(input).unwrap_or((input, None));
-        let mut sqrc_found: Option<char> = None;
+        let sqrc_found: Option<char>;
         (input, sqrc_found) = opt(nom::character::complete::char(']'))(input)?;
         if (sqro_found.is_some() && sqrc_found.is_none())
             || (sqro_found.is_none() && sqrc_found.is_some())

src/ringo/ringo/fingerprint.rs

@@ -42,7 +42,7 @@ mod tests {
         fp.0.set(17, true);
 
         let mut buf = vec![0u8; FINGERPRINT_SIZE / 8];
-        let encoded = bincode::encode_into_slice(&fp, buf.as_mut_slice(), bincode::config::standard()).unwrap();
+        bincode::encode_into_slice(&fp, buf.as_mut_slice(), bincode::config::standard()).unwrap();
 
         let decoded: Fingerprint =
             bincode::decode_from_slice(&buf, bincode::config::standard())

src/ringo/ringo/index.rs

@@ -16,7 +16,7 @@ fn index(smiles_file: &str) {
 
     // open binary file for index
     let mut offset = 0;
-    let mut fo = File::create(smiles_file.to_owned() + ".fp");
+    let fo = File::create(smiles_file.to_owned() + ".fp");
     let mut writer = BufWriter::new(fo.unwrap());
 
     for line in std::io::BufReader::new(fi).lines() {

src/ringo/ringo/search.rs

@@ -25,8 +25,8 @@ pub fn similarity_search(smiles_file: &str, query: &str, min_similarity: f32, li
     let mut buf_reader = BufReader::new(fif);
 
     let mut results = Vec::new();
-    
-    for i in 0..index_count {
+
+    for _ in 0..index_count {
         // read index item from file
         let mut buf = vec![0u8; index_item_size as usize];
         buf_reader.read_exact(&mut buf).unwrap();
@@ -49,16 +49,23 @@ pub fn similarity_search(smiles_file: &str, query: &str, min_similarity: f32, li
                 line: line,
                 similarity: similarity
             });
+
+            if results.len() >= limit {
+                break;
+            }
         }
     }
-    
+
     results
 }
 
 #[test]
 fn test_similarity_search() {
     let results = similarity_search("molecules.smi", "CC(C)CC1=CC=C(C=C1)C(C)C(=O)O", 0.7, 100);
     assert_eq!(results.len(), 1);
+    assert!(results[0].line.starts_with("CC(C)CC1=CC=C(C=C1)C(C)C(=O)O"));
+    assert_eq!(results[0].similarity, 1.0);
     let results = similarity_search("molecules.smi", "CC(C)CC1=CC=C(C=C1)C(C)C(=O)O", 0.5, 100);
     assert_eq!(results.len(), 2);
+
 }