From 6721d6f11e85f0ddca7a3eaa409cfadb6a31d1f9 Mon Sep 17 00:00:00 2001 From: Vratin Srivastava Date: Mon, 23 Mar 2026 14:49:45 -0500 Subject: [PATCH] fixing max comparison error --- src/dataset.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/dataset.py b/src/dataset.py index 5a11f42..badd668 100644 --- a/src/dataset.py +++ b/src/dataset.py @@ -519,7 +519,7 @@ def compute_normalized_bfactors( raw_bfactor = water_atoms.b_factor[i] # If all water B-factors are identical, assign neutral z-score 0.0. normalized = ( - (raw_bfactor - water_mean) / np.max(water_std, 1e-3) + (raw_bfactor - water_mean) / max(water_std, 1e-3) if water_std > 0 else 0.0 )