r12314 - /1.3/test_suite/system_tests/scripts/model_free/opt_tm6_grid.py -- January 13, 2011 - 12:36

Author: bugman
Date: Thu Jan 13 12:36:51 2011
New Revision: 12314

URL: http://svn.gna.org/viewcvs/relax?rev=12314&view=rev
Log:
Added a system test script for the model-free model tm6 relaxation data grid.


Added:
    1.3/test_suite/system_tests/scripts/model_free/opt_tm6_grid.py
      - copied, changed from r12311, 
1.3/test_suite/system_tests/scripts/model_free/opt_tm5_grid.py

Copied: 1.3/test_suite/system_tests/scripts/model_free/opt_tm6_grid.py (from 
r12311, 1.3/test_suite/system_tests/scripts/model_free/opt_tm5_grid.py)
URL: 
http://svn.gna.org/viewcvs/relax/1.3/test_suite/system_tests/scripts/model_free/opt_tm6_grid.py?p2=1.3/test_suite/system_tests/scripts/model_free/opt_tm6_grid.py&p1=1.3/test_suite/system_tests/scripts/model_free/opt_tm5_grid.py&r1=12311&r2=12314&rev=12314&view=diff
==============================================================================
--- 1.3/test_suite/system_tests/scripts/model_free/opt_tm5_grid.py (original)
+++ 1.3/test_suite/system_tests/scripts/model_free/opt_tm6_grid.py Thu Jan 13 
12:36:51 2011
@@ -20,34 +20,36 @@
 #                                                                            
 #
 
###############################################################################
 
-"""Set up the data pipe for testing optimisation against tm5 relaxation 
data."""
+"""Set up the data pipe for testing optimisation against tm6 relaxation 
data."""
 
 # relax module imports.
 from opt_tm_fns import create_sequence, opt_and_check, setup_data
 
 
 # The model-free parameters.
-tm = [2e-9, 10e-9]
-s2 = [0.2, 0.4, 0.65]
+tm = [2e-9, 10e-9]          
+s2 = [0.2, 0.8]             
 s2f = [0.7, 0.8]            
-ts = [2e-12, 40e-12, 1e-9]  
+tf = [2e-12, 40e-12]        
+ts = [2e-11, 1.8e-9]        
 
 # Create the sequence.
-create_sequence(len(tm)*len(s2)*len(s2f)*len(ts))
+create_sequence(len(tm)*len(s2)*len(s2f)*len(tf)*len(ts))
 
 # Set up the data.
-setup_data(dir='tm5_grid')
+setup_data(dir='tm6_grid')
 
 # Residue index.
 res_index = 0
 
 # Loop over the parameters.
 for ts_index in range(len(ts)):
-    for s2f_index in range(len(s2f)):
-        for s2_index in range(len(s2)):
-            for tm_index in range(len(tm)):
-                # Optimise and validate.
-                opt_and_check(spin=cdp.mol[0].res[res_index].spin[0], 
tm=tm[tm_index], s2=s2[s2_index], s2f=s2f[s2f_index], ts=ts[ts_index])
-
-                # Increment the residue index.
-                res_index += 1
+    for tf_index in range(len(tf)):
+        for s2f_index in range(len(s2f)):
+            for s2_index in range(len(s2)):
+                for tm_index in range(len(tm)):
+                    # Optimise and validate.
+                    opt_and_check(spin=cdp.mol[0].res[res_index].spin[0], 
tm=tm[tm_index], s2=s2[s2_index], s2f=s2f[s2f_index], tf=tf[tf_index], 
ts=ts[ts_index])
+    
+                    # Increment the residue index.
+                    res_index += 1