r24815 - in /branches/frame_order_cleanup/test_suite/system_tests: frame_order.py scripts/frame_order/rigid_test.py -- July 29, 2014 - 17:01

Author: bugman
Date: Tue Jul 29 17:01:55 2014
New Revision: 24815

URL: http://svn.gna.org/viewcvs/relax?rev=24815&view=rev
Log:
Fixes for all of the Frame_order.test_rigid_data_to_*_model system tests.

The base script now sets all parameter values so that the minimise.calculate 
user function can
operate.  The two free rotor model chi-squared values have been updated as 
these are sensitive to
the motional eigenframe parameter values - these models can never approximate 
a rigid state.


Modified:
    branches/frame_order_cleanup/test_suite/system_tests/frame_order.py
    
branches/frame_order_cleanup/test_suite/system_tests/scripts/frame_order/rigid_test.py

Modified: branches/frame_order_cleanup/test_suite/system_tests/frame_order.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/test_suite/system_tests/frame_order.py?rev=24815&r1=24814&r2=24815&view=diff
==============================================================================
--- branches/frame_order_cleanup/test_suite/system_tests/frame_order.py 
(original)
+++ branches/frame_order_cleanup/test_suite/system_tests/frame_order.py Tue 
Jul 29 17:01:55 2014
@@ -1238,7 +1238,7 @@
         self.script_exec(status.install_path + 
sep+'test_suite'+sep+'system_tests'+sep+'scripts'+sep+'frame_order'+sep+'rigid_test.py')
 
         # Check the chi2 value.
-        self.assertAlmostEqual(cdp.chi2, 213987.67269347562)
+        self.assertAlmostEqual(cdp.chi2, 204026.70481594582)
 
 
     def test_rigid_data_to_iso_cone_model(self):
@@ -1264,7 +1264,7 @@
         self.script_exec(status.install_path + 
sep+'test_suite'+sep+'system_tests'+sep+'scripts'+sep+'frame_order'+sep+'rigid_test.py')
 
         # Check the chi2 value.
-        self.assertAlmostEqual(cdp.chi2, 23550.093727500942)
+        self.assertAlmostEqual(cdp.chi2, 22295.503345237757)
 
 
     def test_rigid_data_to_iso_cone_torsionless_model(self):

Modified: 
branches/frame_order_cleanup/test_suite/system_tests/scripts/frame_order/rigid_test.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/test_suite/system_tests/scripts/frame_order/rigid_test.py?rev=24815&r1=24814&r2=24815&view=diff
==============================================================================
--- 
branches/frame_order_cleanup/test_suite/system_tests/scripts/frame_order/rigid_test.py
      (original)
+++ 
branches/frame_order_cleanup/test_suite/system_tests/scripts/frame_order/rigid_test.py
      Tue Jul 29 17:01:55 2014
@@ -139,12 +139,24 @@
 cdp.ave_pos_beta  = 2.0
 cdp.ave_pos_gamma = 2.14159265359
 
-# Set some parameters close to zero, but far enough away from zero to allow 
for the numerical integration.
+# Set the pivot parameter.
+cdp.pivot_disp = 100.0
+
+# Set the eigenframe parameters to allow the minimise.calculate user 
function to operate.
+cdp.axis_alpha = 1.0
+cdp.axis_theta = 1.0
+cdp.axis_phi = 1.0
+cdp.eigen_alpha = 1.0
+cdp.eigen_beta = 1.0
+cdp.eigen_gamma = 1.0
+
+# Set the order parameters to insignificant values.
 cdp.cone_s1 = 1.0
 cdp.cone_theta = 0.0
 cdp.cone_theta_x = 0.0
 cdp.cone_theta_y = 0.0
 cdp.cone_sigma_max = 0.0
+cdp.cone_sigma_max_2 = 0.0
 
 # Allow for stand-alone operation.
 if not hasattr(ds, 'model'):