#3: prepared index_item vector

src/ringo.rs

@@ -1,3 +1,3 @@
 pub mod math;
 pub mod molecule;
-mod bingo;
+mod ringo;

src/ringo/bingo.rs → src/ringo/ringo.rs

@@ -1,2 +1,3 @@
 mod index;
 mod search;
+mod index_item;

src/ringo/bingo/index.rs → src/ringo/ringo/index.rs

@@ -1,26 +1,30 @@
 use std::fs::File;
 use std::io::{BufRead};
-
 use crate::ringo::molecule::smiles::reader::molecule::parse_molecule;
+use crate::ringo::ringo::index_item::IndexItem;
 
-fn index(smiles_file: &str) {
+fn index(smiles_file: &str) -> Vec<IndexItem> {
     // open file for reading
     let fi = File::open(smiles_file).expect("Could not open file");
 
+    let mut result = Vec::new();
     // open binary file for index
-
     let mut offset = 0;
     // let mut fo = File::create(smiles_file.to_owned() + ".fp");
     for line in std::io::BufReader::new(fi).lines() {
         let line = line.unwrap();
         let molecule = parse_molecule(&line).unwrap().1;
         // let ecfp = molecule.ecfp(2, 512);
         // write ecfp and offset to binary file
+        result.push(IndexItem::new(offset, molecule.ecfp(2, 512)));
+
         offset += line.len() + 1;
     }
+    return result;
 }
 
 #[test]
 fn test_index() {
-    index("molecules.smi");
+    let result = index("molecules.smi");
+    assert_eq!(result.len(), 1);
 }

src/ringo/ringo/index_item.rs

@@ -0,0 +1,15 @@
+use bit_vec::BitVec;
+
+pub struct IndexItem {
+    pub position: usize,
+    pub fingerprint: Vec<u8>
+}
+
+impl IndexItem {
+    pub fn new(position: usize, fingerprint: BitVec) -> IndexItem {
+        IndexItem {
+            position,
+            fingerprint: fingerprint.to_bytes()
+        }
+    }
+}