From b56f3dc68af96230dc2f6406daedcce203870746 Mon Sep 17 00:00:00 2001
From: EvaSnow <10635420+evasnow1992@users.noreply.github.com>
Date: Wed, 25 Mar 2026 20:57:04 -0700
Subject: [PATCH] Fix typo in _calculateBeta: check nb1 instead of nb2 twice
 (#9202)

The non-terminal bond filter checked len(nb2) > 1 for both atoms,
ignoring nb1 entirely. This could include bonds with a terminal
begin-atom when computing dmax for torsion weights.
---
 rdkit/Chem/TorsionFingerprints.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/rdkit/Chem/TorsionFingerprints.py b/rdkit/Chem/TorsionFingerprints.py
index d0a28f23d..9a7241f40 100644
--- a/rdkit/Chem/TorsionFingerprints.py
+++ b/rdkit/Chem/TorsionFingerprints.py
@@ -392,7 +392,7 @@ def _calculateBeta(mol, distmat, aid1):
   for b in mol.GetBonds():
     nb1 = _getHeavyAtomNeighbors(b.GetBeginAtom())
     nb2 = _getHeavyAtomNeighbors(b.GetEndAtom())
-    if len(nb2) > 1 and len(nb2) > 1:
+    if len(nb1) > 1 and len(nb2) > 1:
       bonds.append(b)
   # get shortest distance
   dmax = 0