From 2017cbfda782ad9a2a9039c20cea3c13da11f037 Mon Sep 17 00:00:00 2001
From: Mikhail Kviatkovskii <mikhail.kviatkovskii@pm.me>
Date: Fri, 5 Jul 2024 11:48:09 +0400
Subject: [PATCH] #3: prepared index_item vector

---
 src/ringo.rs                         |  2 +-
 src/ringo/{bingo.rs => ringo.rs}     |  1 +
 src/ringo/{bingo => ringo}/index.rs  | 12 ++++++++----
 src/ringo/ringo/index_item.rs        | 15 +++++++++++++++
 src/ringo/{bingo => ringo}/search.rs |  0
 5 files changed, 25 insertions(+), 5 deletions(-)
 rename src/ringo/{bingo.rs => ringo.rs} (58%)
 rename src/ringo/{bingo => ringo}/index.rs (69%)
 create mode 100644 src/ringo/ringo/index_item.rs
 rename src/ringo/{bingo => ringo}/search.rs (100%)

diff --git a/src/ringo.rs b/src/ringo.rs
index 00302d3..76b46a1 100644
--- a/src/ringo.rs
+++ b/src/ringo.rs
@@ -1,3 +1,3 @@
 pub mod math;
 pub mod molecule;
-mod bingo;
+mod ringo;
diff --git a/src/ringo/bingo.rs b/src/ringo/ringo.rs
similarity index 58%
rename from src/ringo/bingo.rs
rename to src/ringo/ringo.rs
index 34de02b..0e77780 100644
--- a/src/ringo/bingo.rs
+++ b/src/ringo/ringo.rs
@@ -1,2 +1,3 @@
 mod index;
 mod search;
+mod index_item;
diff --git a/src/ringo/bingo/index.rs b/src/ringo/ringo/index.rs
similarity index 69%
rename from src/ringo/bingo/index.rs
rename to src/ringo/ringo/index.rs
index 06f57bb..0d09dc5 100644
--- a/src/ringo/bingo/index.rs
+++ b/src/ringo/ringo/index.rs
@@ -1,14 +1,14 @@
 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() {
@@ -16,11 +16,15 @@ fn index(smiles_file: &str) {
         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);
 }
diff --git a/src/ringo/ringo/index_item.rs b/src/ringo/ringo/index_item.rs
new file mode 100644
index 0000000..06d8c90
--- /dev/null
+++ b/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()
+        }
+    }
+}
diff --git a/src/ringo/bingo/search.rs b/src/ringo/ringo/search.rs
similarity index 100%
rename from src/ringo/bingo/search.rs
rename to src/ringo/ringo/search.rs