tiny fix

Acellera · Oct 21, 2024 · 8112973 · 8112973
1 parent b521624
commit 8112973
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/moleculekit/atomselect/analyze.py b/moleculekit/atomselect/analyze.py
@@ -95,7 +95,7 @@ def analyze(mol: Molecule, bonds, _profile=False):
         masses.append(periodictable[el].mass)
     masses = np.array(masses, dtype=np.float32)
 
-    if bonds.max() >= mol.numAtoms:
+    if len(bonds) and bonds.max() >= mol.numAtoms:
         raise ValueError(
             "Bonds array contains atoms which are not in the molecule. "
             f"The maximum atom index in the bonds array is {bonds.max()} while the molecule contains {mol.numAtoms} atoms."