r18286 - /trunk/test_suite/system_tests/scripts/n_state_model/metal_pos_opt.py -- January 23, 2013 - 22:14

Author: bugman
Date: Wed Jan 23 22:14:19 2013
New Revision: 18286

URL: http://svn.gna.org/viewcvs/relax?rev=18286&view=rev
Log:
Modified the metal_pos_opt.py N-state model system test script to catch yet 
another bug.


Modified:
    trunk/test_suite/system_tests/scripts/n_state_model/metal_pos_opt.py

Modified: trunk/test_suite/system_tests/scripts/n_state_model/metal_pos_opt.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/test_suite/system_tests/scripts/n_state_model/metal_pos_opt.py?rev=18286&r1=18285&r2=18286&view=diff
==============================================================================
--- trunk/test_suite/system_tests/scripts/n_state_model/metal_pos_opt.py 
(original)
+++ trunk/test_suite/system_tests/scripts/n_state_model/metal_pos_opt.py Wed 
Jan 23 22:14:19 2013
@@ -126,7 +126,9 @@
 print("Chi2: %s" % cdp.chi2)
 if abs(cdp.chi2 - chi2) > 1e-15:
     raise RelaxError("The chi2 value must match the previous value of %s." % 
chi2)
+self._execute_uf(uf_name='n_state_model.select_model', model='fixed')
 self._execute_uf(uf_name='paramag.centre', fix=False)
+self._execute_uf(uf_name='calc')
 self._execute_uf('bfgs', constraints=False, max_iter=500, 
uf_name='minimise', verbosity=1)
 
 # Check that the metal moved.