r18284 - /trunk/test_suite/system_tests/scripts/n_state_model/metal_pos_opt.py -- January 23, 2013 - 21:41

Author: bugman
Date: Wed Jan 23 21:41:08 2013
New Revision: 18284

URL: http://svn.gna.org/viewcvs/relax?rev=18284&view=rev
Log:
Improved the checks of the metal_pos_opt.py N-state model system test script.


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=18284&r1=18283&r2=18284&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 21:41:08 2013
@@ -118,13 +118,14 @@
 self._execute_uf(uf_name='n_state_model.select_model', model='population')
 self._execute_uf(uf_name='calc')
 print("Chi2: %s" % cdp.chi2)
+chi2 = cdp.chi2
 if cdp.chi2 < 1e-15:
     raise RelaxError("The chi2 value cannot be zero here!")
 self._execute_uf(uf_name='paramag.centre', fix=True)
 self._execute_uf(uf_name='calc')
 print("Chi2: %s" % cdp.chi2)
-if cdp.chi2 < 1e-15:
-    raise RelaxError("The chi2 value cannot be zero here!")
+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='paramag.centre', fix=False)
 self._execute_uf('bfgs', constraints=False, max_iter=500, 
uf_name='minimise', verbosity=1)