From b3fc7097c649e6e6f307c87941c460d22af3be1e Mon Sep 17 00:00:00 2001
From: Marvin Taterra <115582964+MarvinTaterra@users.noreply.github.com>
Date: Wed, 22 Apr 2026 11:54:28 +0200
Subject: [PATCH] Shortest path algo muticore

Added the hook here, to support using mutiple cores, as bigger systems might bottleneck here
---
 mdpath/mdpath.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/mdpath/mdpath.py b/mdpath/mdpath.py
index d62883b..846b36d 100644
--- a/mdpath/mdpath.py
+++ b/mdpath/mdpath.py
@@ -239,7 +239,7 @@ def main():
     )  # Exports image of the Graph to PNG
 
     # Calculate paths
-    path_total_weights = graph_builder.collect_path_total_weights(df_distant_residues)
+    path_total_weights = graph_builder.collect_path_total_weights_parallel(df_distant_residues, num_parallel_processes)
     sorted_paths = sorted(path_total_weights, key=lambda x: x[1], reverse=True)
     with open("output.txt", "w") as file:
         for path, total_weight in sorted_paths[:numpath]: