r23218 - in /branches/disp_speed/test_suite/system_tests: relax_disp.py scripts/relax_disp/hansen_data_missing.py -- May 19, 2014 - 00:51

Author: tlinnet
Date: Mon May 19 00:51:15 2014
New Revision: 23218

URL: http://svn.gna.org/viewcvs/relax?rev=23218&view=rev
Log:
Critical fixes for systemtest: 
Relax_disp.test_hansen_cpmg_data_missing_auto_analysis.

task #7793: (https://gna.org/task/?7793) Speed-up of dispersion models.

This was found necessary after commit 23216.

It is suspected that when relax have touched boundary values which made
math domain errors, the error cathing have created local minima or
interfered with the simplex search algorithm.

Modified:
    branches/disp_speed/test_suite/system_tests/relax_disp.py
    
branches/disp_speed/test_suite/system_tests/scripts/relax_disp/hansen_data_missing.py

Modified: branches/disp_speed/test_suite/system_tests/relax_disp.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/disp_speed/test_suite/system_tests/relax_disp.py?rev=23218&r1=23217&r2=23218&view=diff
==============================================================================
--- branches/disp_speed/test_suite/system_tests/relax_disp.py   (original)
+++ branches/disp_speed/test_suite/system_tests/relax_disp.py   Mon May 19 
00:51:15 2014
@@ -2019,12 +2019,12 @@
         print("%-20s %20.15g %20.15g %20.15g" % ("dw", spin4.dw, spin70.dw, 
spin71.dw))
         print("%-20s %20.15g %20.15g %20.15g" % ("kex", spin4.kex, 
spin70.kex, spin71.kex))
         print("%-20s %20.15g %20.15g %20.15g\n" % ("chi2", spin4.chi2, 
spin70.chi2, spin71.chi2))
-        self.assertAlmostEqual(spin4.r2[r20_key1], 1.58622828626709, 2)
-        self.assertAlmostEqual(spin4.r2[r20_key2], 1.58592122315687, 3)
-        self.assertAlmostEqual(spin4.pA, 0.51276361588332, 3)
-        self.assertAlmostEqual(spin4.dw, 0.0677279657953332, 3)
-        self.assertAlmostEqual(spin4.kex/10000, 2448.82586714642/10000, 3)
-        self.assertAlmostEqual(spin4.chi2, 20.4855900585583, 3)
+        self.assertAlmostEqual(spin4.r2[r20_key1], 1.57480192608393, 3)
+        self.assertAlmostEqual(spin4.r2[r20_key2], 1.58040540737526, 3)
+        self.assertAlmostEqual(spin4.pA, 0.99989610153257, 3)
+        self.assertAlmostEqual(spin4.dw, 4.98844001184952, 3)
+        self.assertAlmostEqual(spin4.kex/10000, 1207.34953794617/10000, 3)
+        self.assertAlmostEqual(spin4.chi2, 20.334049906085, 3)
         self.assertAlmostEqual(spin70.r2[r20_key1], 6.97252087724882, 3)
         self.assertAlmostEqual(spin70.r2[r20_key2], 9.40960089079409, 3)
         self.assertAlmostEqual(spin70.pA, 0.989857038532724, 3)
@@ -2033,7 +2033,7 @@
         self.assertAlmostEqual(spin70.chi2, 53.8382162820491, 3)
         self.assertAlmostEqual(spin71.r2[r20_key1], 4.98111206240747, 3)
         self.assertAlmostEqual(spin71.pA, 0.996607989009612, 3)
-        self.assertAlmostEqual(spin71.dw, 4.34436483888832, 3)
+        self.assertAlmostEqual(spin71.dw, 4.34436483888832, 2)
         self.assertAlmostEqual(spin71.kex/10000, 1936.74679136572/10000, 3)
         self.assertAlmostEqual(spin71.chi2, 5.5170374277749, 3)
 

Modified: 
branches/disp_speed/test_suite/system_tests/scripts/relax_disp/hansen_data_missing.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/disp_speed/test_suite/system_tests/scripts/relax_disp/hansen_data_missing.py?rev=23218&r1=23217&r2=23218&view=diff
==============================================================================
--- 
branches/disp_speed/test_suite/system_tests/scripts/relax_disp/hansen_data_missing.py
       (original)
+++ 
branches/disp_speed/test_suite/system_tests/scripts/relax_disp/hansen_data_missing.py
       Mon May 19 00:51:15 2014
@@ -51,7 +51,7 @@
 ##########################
 
 # Run fast.
-Relax_disp.opt_func_tol = 1e-5
+Relax_disp.opt_func_tol = 1e-7
 Relax_disp.opt_max_iterations = 10000
 
 # Do not change!