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fix box warning
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fgrunewald committed Oct 20, 2023
1 parent de9ec20 commit e87a6c3
Showing 1 changed file with 2 additions and 1 deletion.
3 changes: 2 additions & 1 deletion polyply/src/gen_coords.py
Original file line number Diff line number Diff line change
Expand Up @@ -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. ")
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