r23310 - /trunk/test_suite/system_tests/relax_disp.py -- May 21, 2014 - 17:43

Author: tlinnet
Date: Wed May 21 17:43:47 2014
New Revision: 23310

URL: http://svn.gna.org/viewcvs/relax?rev=23310&view=rev
Log:
Modified system test Relax_disp.test_cpmg_synthetic_ns3d_to_cr72 to catch bug.

bug #22017: (https://gna.org/bugs/index.php?22017) LinAlgError, for all 
numerical CPMG models.

Systemtest was renamed from test_cpmg_synthetic_cr72 to 
test_cpmg_synthetic_ns3d_to_cr72, to
reflect which model create the data and which model fits the data.

Modified:
    trunk/test_suite/system_tests/relax_disp.py

Modified: trunk/test_suite/system_tests/relax_disp.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/test_suite/system_tests/relax_disp.py?rev=23310&r1=23309&r2=23310&view=diff
==============================================================================
--- trunk/test_suite/system_tests/relax_disp.py (original)
+++ trunk/test_suite/system_tests/relax_disp.py Wed May 21 17:43:47 2014
@@ -955,17 +955,18 @@
         relax_disp.Relax_disp(pipe_name='origin - relax_disp (Sun Feb 23 
19:36:51 2014)', pipe_bundle='relax_disp (Sun Feb 23 19:36:51 2014)', 
results_dir=self.tmpdir, models=['R2eff', 'No Rex'], grid_inc=11, 
mc_sim_num=2, modsel='AIC', pre_run_dir=pre_run_dir, insignificance=1.0, 
numeric_only=True, mc_sim_all_models=False, eliminate=True)
 
 
-    def test_cpmg_synthetic_cr72(self):
+    def test_cpmg_synthetic_ns3d_to_cr72(self):
         """Test synthetic cpmg data.
 
-        This script will produce synthetic CPMG R2eff values according to 
the selected model, and the fit the selected model.
+        This script will produce synthetic CPMG R2eff values according to 
the NS CPMG 2-site 3D model, and the fit the data with CR72.
         """
 
         # Reset.
         #self.interpreter.reset()
 
         ## Set Experiments.
-        model_create = 'CR72'
+        model_create = 'NS CPMG 2-site 3D'
+        #model_create = 'NS CPMG 2-site expanded'
         model_analyse = 'CR72'
         # Exp 1
         sfrq_1 = 599.8908617*1E6
@@ -986,7 +987,7 @@
         exps = [exp_1, exp_2]
 
         spins = [
-            ['Ala', 1, 'N', {'r2': {r20_key_1:2, r20_key_2:2}, 'r2a': 
{r20_key_1:2, r20_key_2:2}, 'r2b': {r20_key_1:2, r20_key_2:2}, 'kex': 1000, 
'pA': 0.99, 'dw': 2} ]
+            ['Ala', 1, 'N', {'r2': {r20_key_1:10., r20_key_2:10.}, 'r2a': 
{r20_key_1:10., r20_key_2:10.}, 'r2b': {r20_key_1:10., r20_key_2:10.}, 'kex': 
1000., 'pA': 0.99, 'dw': 2.} ]
             ]
 
         # Collect the data to be used.
@@ -1072,7 +1073,7 @@
                             print("###################################")
 
                         ## Make test on R2.
-                        self.assertAlmostEqual(set_r2_frq, min_r2_frq, 6)
+                        self.assertAlmostEqual(set_r2_frq, min_r2_frq, 2)
                 else:
                     grid_val = grid_params[mo_param]
                     min_val = min_params[mo_param]
@@ -1084,7 +1085,12 @@
                         print("###################################")
 
                     ## Make test on parameters.
-                    self.assertAlmostEqual(set_val, min_val, 2)
+                    if mo_param == 'dw':
+                        self.assertAlmostEqual(set_val/10, min_val/10, 1)
+                    elif mo_param == 'kex':
+                        self.assertAlmostEqual(set_val/1000, min_val/1000, 1)
+                    elif mo_param == 'pA':
+                        self.assertAlmostEqual(set_val, min_val, 3)
 
 
     def test_cpmg_synthetic_cr72_full_noise_cluster(self):