r12319 - /1.3/test_suite/system_tests/scripts/model_free/opt_tm9_grid.py -- January 13, 2011 - 12:51

Author: bugman
Date: Thu Jan 13 12:51:45 2011
New Revision: 12319

URL: http://svn.gna.org/viewcvs/relax?rev=12319&view=rev
Log:
Added a system test script for the model-free model tm9 relaxation data grid.


Added:
    1.3/test_suite/system_tests/scripts/model_free/opt_tm9_grid.py
      - copied, changed from r12317, 
1.3/test_suite/system_tests/scripts/model_free/opt_tm3_grid.py

Copied: 1.3/test_suite/system_tests/scripts/model_free/opt_tm9_grid.py (from 
r12317, 1.3/test_suite/system_tests/scripts/model_free/opt_tm3_grid.py)
URL: 
http://svn.gna.org/viewcvs/relax/1.3/test_suite/system_tests/scripts/model_free/opt_tm9_grid.py?p2=1.3/test_suite/system_tests/scripts/model_free/opt_tm9_grid.py&p1=1.3/test_suite/system_tests/scripts/model_free/opt_tm3_grid.py&r1=12317&r2=12319&rev=12319&view=diff
==============================================================================
--- 1.3/test_suite/system_tests/scripts/model_free/opt_tm3_grid.py (original)
+++ 1.3/test_suite/system_tests/scripts/model_free/opt_tm9_grid.py Thu Jan 13 
12:51:45 2011
@@ -20,32 +20,30 @@
 #                                                                            
 #
 
###############################################################################
 
-"""Set up the data pipe for testing optimisation against tm3 relaxation 
data."""
+"""Set up the data pipe for testing optimisation against tm9 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, 21e-9]
-s2 = [0.2, 0.8, 0.95]
-rex = [0.5, 4]
+tm = [2e-9, 10e-9, 80e-9]   
+rex = [0.5, 4, 20]
 
 # Create the sequence.
-create_sequence(len(tm)*len(s2)*len(rex))
+create_sequence(len(tm)*len(rex))
 
 # Set up the data.
-setup_data(dir='tm3_grid')
+setup_data(dir='tm9_grid')
 
 # Residue index.
 res_index = 0
 
 # Loop over the parameters.
 for rex_index in range(len(rex)):
-    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], rex=rex[rex_index])
+    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], rex=rex[rex_index])
 
-            # Increment the residue index.
-            res_index += 1
+        # Increment the residue index.
+        res_index += 1