From e87a6c3fdbfb936489d23b7784a912a2cf53ead9 Mon Sep 17 00:00:00 2001 From: Fabian Gruenewald Date: Fri, 20 Oct 2023 11:31:43 +0200 Subject: [PATCH] fix box warning --- polyply/src/gen_coords.py | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/polyply/src/gen_coords.py b/polyply/src/gen_coords.py index aa785e5a..a44e4786 100644 --- a/polyply/src/gen_coords.py +++ b/polyply/src/gen_coords.py @@ -237,7 +237,8 @@ def gen_coords(toppath, grid = np.loadtxt(grid) # where to get the box size from - if box is not None and topology.box and not np.array_equal(topology.box, box): + if box is not None and topology.box is not None\ + and not np.array_equal(topology.box, box): msg = ("A box is provided via the -box command line " "and the starting coordinates. We consider the " "the box of starting coordinates as correct. ")