fix broken comparison

Author: jan-janssen

pyproject.toml

@@ -94,6 +94,8 @@ ignore = [
     "B904",
     # ignore line-length violations
     "E501",
+    # ignore equality comparisons for numpy arrays
+    "E712",
     # ignore bare except
     "E722",
     # ignore ambiguous variable name

structuretoolkit/analyse/neighbors.py

@@ -536,7 +536,7 @@ def _estimate_width(
         """
         if num_neighbors is None and cutoff_radius == np.inf:
             raise ValueError("Define either num_neighbors or cutoff_radius")
-        if all(self._ref_structure.pbc is False):
+        if all(self._ref_structure.pbc == False):
             return 0
         elif cutoff_radius != np.inf:
             return cutoff_radius