change the test that was failing (#291)

project-gemmi · Jan 18, 2024 · b088470 · b088470
1 parent 0d4bf59
commit b088470
Showing 1 changed file with 12 additions and 2 deletions.
diff --git 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%  <dPhi>=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%  <dPhi>=3.569e-06
 
     # example from utils.rst
     def test_align_text(self):