From 14c43760b451bfcab2ae4109f838de553999acb8 Mon Sep 17 00:00:00 2001
From: James Parkhurst <james.parkhurst@diamond.ac.uk>
Date: Thu, 27 Feb 2025 10:36:27 +0000
Subject: [PATCH] Fix get orientation

---
 src/whippet/__init__.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/src/whippet/__init__.py b/src/whippet/__init__.py
index bbc9f02..d4423d4 100644
--- a/src/whippet/__init__.py
+++ b/src/whippet/__init__.py
@@ -472,7 +472,7 @@ def simulate_and_reconstruct(config: Config):
     """
 
     def get_orientations(all_orientations):
-        return [3]#list(range(6)) if all_orientations else [0]
+        return list(range(6)) if all_orientations else [0]
 
     # Loop through all the parameters and do the simulation
     for filename in config.pdb: