r12304 - /1.3/test_suite/system_tests/scripts/model_free/opt_tm5_grid.py -- January 13, 2011 - 12:05

Author: bugman
Date: Thu Jan 13 12:05:30 2011
New Revision: 12304

URL: http://svn.gna.org/viewcvs/relax?rev=12304&view=rev
Log:
Added a system test script for the model-free model tm5 relaxation data grid.


Added:
    1.3/test_suite/system_tests/scripts/model_free/opt_tm5_grid.py
      - copied, changed from r12298, 
1.3/test_suite/system_tests/scripts/model_free/opt_tm2_grid.py

Copied: 1.3/test_suite/system_tests/scripts/model_free/opt_tm5_grid.py (from 
r12298, 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_tm5_grid.py?p2=1.3/test_suite/system_tests/scripts/model_free/opt_tm5_grid.py&p1=1.3/test_suite/system_tests/scripts/model_free/opt_tm2_grid.py&r1=12298&r2=12304&rev=12304&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_tm5_grid.py Thu Jan 13 
12:05:30 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 tm5 relaxation 
data."""
 
 # relax module imports.
 from opt_tm_fns import create_sequence, opt_and_check, setup_data
@@ -29,23 +29,25 @@
 # 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]
+s2f = [0.7, 0.8]            
+ts = [2e-12, 40e-12, 1e-9]  
 
 # Create the sequence.
-create_sequence(len(tm)*len(s2)*len(te))
+create_sequence(len(tm)*len(s2)*len(s2f)*len(ts))
 
 # Set up the data.
-setup_data(dir='tm2_grid')
+setup_data(dir='tm5_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):
-            # 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])
+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
+                # Increment the residue index.
+                res_index += 1