r12288 - /1.3/test_suite/system_tests/scripts/model_free/opt_tm3_grid.py -- January 13, 2011 - 11:30

Author: bugman
Date: Thu Jan 13 11:30:01 2011
New Revision: 12288

URL: http://svn.gna.org/viewcvs/relax?rev=12288&view=rev
Log:
Added a system test script for the model-free model tm3 relaxation data grid.


Added:
    1.3/test_suite/system_tests/scripts/model_free/opt_tm3_grid.py
      - copied, changed from r12282, 
1.3/test_suite/system_tests/scripts/model_free/opt_tm2_grid.py

Copied: 1.3/test_suite/system_tests/scripts/model_free/opt_tm3_grid.py (from 
r12282, 1.3/test_suite/system_tests/scripts/model_free/opt_tm2_grid.py)
URL: 
http://svn.gna.org/viewcvs/relax/1.3/test_suite/system_tests/scripts/model_free/opt_tm3_grid.py?p2=1.3/test_suite/system_tests/scripts/model_free/opt_tm3_grid.py&p1=1.3/test_suite/system_tests/scripts/model_free/opt_tm2_grid.py&r1=12282&r2=12288&rev=12288&view=diff
==============================================================================
--- 1.3/test_suite/system_tests/scripts/model_free/opt_tm2_grid.py (original)
+++ 1.3/test_suite/system_tests/scripts/model_free/opt_tm3_grid.py Thu Jan 13 
11:30:01 2011
@@ -20,7 +20,7 @@
 #                                                                            
 #
 
###############################################################################
 
-"""Set up the data pipe for testing optimisation against tm2 relaxation 
data."""
+"""Set up the data pipe for testing optimisation against tm3 relaxation 
data."""
 
 # relax module imports.
 from opt_tm_fns import create_sequence, opt_and_check, setup_data
@@ -29,23 +29,23 @@
 # The model-free parameters.
 tm = [2e-9, 10e-9, 21e-9]
 s2 = [0.2, 0.8, 0.95]
-te = [2e-12, 40e-12, 1e-9]
+rex = [0.5, 4]
 
 # Create the sequence.
-create_sequence(len(tm)*len(s2)*len(te))
+create_sequence(len(tm)*len(s2)*len(rex))
 
 # Set up the data.
-setup_data(dir='tm2_grid')
+setup_data(dir='tm3_grid')
 
 # Residue index.
 res_index = 0
 
 # Loop over the parameters.
-for te_index in range(3):
-    for s2_index in range(3):
-        for tm_index in range(3):
+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], te=te[te_index])
+            opt_and_check(spin=cdp.mol[0].res[res_index].spin[0], 
tm=tm[tm_index], s2=s2[s2_index], rex=rex[rex_index])
 
             # Increment the residue index.
             res_index += 1