r18302 - /trunk/test_suite/system_tests/n_state_model.py -- January 24, 2013 - 14:16

Author: bugman
Date: Thu Jan 24 14:16:51 2013
New Revision: 18302

URL: http://svn.gna.org/viewcvs/relax?rev=18302&view=rev
Log:
Added new checks in the N_state_model.test_metal_pos_opt system test.

These are for structures which should not be in the deselected spins and 
interatomic containers 


Modified:
    trunk/test_suite/system_tests/n_state_model.py

Modified: trunk/test_suite/system_tests/n_state_model.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/test_suite/system_tests/n_state_model.py?rev=18302&r1=18301&r2=18302&view=diff
==============================================================================
--- trunk/test_suite/system_tests/n_state_model.py (original)
+++ trunk/test_suite/system_tests/n_state_model.py Thu Jan 24 14:16:51 2013
@@ -528,12 +528,22 @@
                 'Tm': [ 0.000125066528687, -0.000564062193363, 
-0.000607973317902,  0.000090266635200,  0.000174865797403,  
0.002488010156480,  0.000830246873289,  0.000762523870219, 
-0.000096933008248,  0.000742665143642, -0.000215152849719],
                 'Er': [-0.481445160767000, -0.361046693640000, 
-0.370098680342000, -0.413514467402000, -0.410802287329000, 
-1.081011578870000, -0.963176128222000, -0.745366702244000, 
-0.674570724880000, -0.751320872646000, -0.684906087274000, 
-0.461253969271000, -0.443680922437000, -0.344056233315000, 
-0.328118573270000, -0.395048353548000, -0.356220572284000, 
-0.324533952261000, -0.411777498713000, -0.511811581196000, 
-1.018565433020000, -0.959481602761000, -0.734022165690000, 
-0.660034918889000, -0.709085634512000, -0.878775632044000, 
-0.553464480425000, -0.765371835675000, -1.548006987460000]
         }
+        spin_deselect_blacklist = ['pcs_bc', 'pcs_sim']
+
         # Loop over the align IDs.
         for tag in ['Dy', 'Tb', 'Tm', 'Er']:
             i = 0
             for spin, spin_id in spin_loop(return_id=True):
                 # Deselected spin.
                 if not spin.select:
+                    print("Checking the deselected spin '%s'" % spin_id)
+
+                    # Check that the container is clean.
+                    for name in spin_deselect_blacklist:
+                        print("    Checking the blacklisted object %s." % 
name)
+                        self.assert_(not hasattr(spin, name))
+
+                    # Skip the rest of the checks.
                     continue
 
                 # No PCS.
@@ -564,12 +574,22 @@
             'Tm': [-0.057386340972700, -0.045650398398700, 
-0.074873514450400,  0.099056143214600,  0.021275817005300,  
0.037132036464200,  0.047340390362400,  0.128745838536000,  
0.010906407989400],
             'Er': [ 22.944150028900001,  23.363231565100001,  
25.948323446000000,   6.955380304960000,   1.784067087050000,   
7.228324193240000,   8.271072502000001,  -7.403618580470000]
         }
+        interatom_deselect_blacklist = ['rdc_bc', 'rdc_sim']
+
         # Loop over the align IDs.
         for tag in ['Dy', 'Tm', 'Er']:
             i = 0
             for interatom in interatomic_loop():
                 # Deselected interatomic container.
                 if not interatom.select:
+                    print("Checking the deselected interatom '%s-%s'" % 
(interatom.spin_id1, interatom.spin_id2))
+
+                    # Check that the container is clean.
+                    for name in interatom_deselect_blacklist:
+                        print("    Checking the blacklisted object %s." % 
name)
+                        self.assert_(not hasattr(interatom, name))
+
+                    # Skip the rest of the checks.
                     continue
 
                 # No RDC.