From 5128fd965d8a7c2770b195f5721a4091c49d1934 Mon Sep 17 00:00:00 2001 From: Ben Webb Date: Mon, 2 Dec 2024 13:53:27 -0800 Subject: [PATCH] Fix feature range for splined dihedral Dihedrals should range from -pi to pi, not from 0 to 2pi. --- modules/modeller/test/test_rsr_file_read.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/modules/modeller/test/test_rsr_file_read.py b/modules/modeller/test/test_rsr_file_read.py index 4e3db6c5b4..d149b4ab49 100644 --- a/modules/modeller/test/test_rsr_file_read.py +++ b/modules/modeller/test/test_rsr_file_read.py @@ -113,7 +113,7 @@ def test_read_static_restraints(self): # Test periodic splined restraint: r = modeller.forms.Spline( feature=modeller.features.Dihedral(at[0], at[1], at[2], at[3]), - open=False, low=0.0, high=6.2832, delta=1.2566, + open=False, low=-3.1416, high=3.1416, delta=1.2566, group=modeller.physical.xy_distance, lowderiv=0.0, highderiv=0.0, values=[100.0, 200.0, 300.0, 400.0, 300.0])