diff --git a/tests/test_prog.py b/tests/test_prog.py index 700a0e8e..d6ab1ad4 100755 --- a/tests/test_prog.py +++ b/tests/test_prog.py @@ -113,9 +113,19 @@ def test_sfcalc_5wkd(self): def test_sfcalc_1pfe(self): self.do('''\ $ gemmi sfcalc --dmin=9 --rate=4 --blur=70 --rcut=1e-7 --test -v tests/1pfe.cif.gz -[...] -RMSE=0.00054812 8.627e-05% max|dF|=0.002943 R=0.000% =3.569e-06 +[...] 40 50 + (2 1 5) 251.29 251.287 214.22 214.220 d=10.02 + (2 1 6) 300.96 300.961 41.99 41.989 d= 9.25 + (2 2 0) 349.07 349.072 180.00 180.000 d= 9.84 + (2 2 1) 202.08 202.077 270.00 270.000 d= 9.77 + (2 2 2) 471.47 471.469 0.00 0.000 d= 9.56 + (2 2 3) 913.55 913.547 90.00 90.000 d= 9.23 + (3 0 0) 591.82 591.825 180.00 180.000 d=11.37 + (3 0 1) 460.96 460.959 180.00 180.000 d=11.25 + (3 0 2) 506.71 506.712 180.00 180.000 d=10.93 + (3 0 3) 137.15 137.152 180.00 180.000 d=10.45 ''') # noqa: E501 +#RMSE=0.00054812 8.627e-05% max|dF|=0.002943 R=0.000% =3.569e-06 # example from utils.rst def test_align_text(self):