mailr21095 - in /branches/relax_disp/test_suite/system_tests/scripts/relax_disp: r1rho_on_res_dpl94.py r1rho_on_res_m61.py


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Posted by edward on October 14, 2013 - 16:26:
Author: bugman
Date: Mon Oct 14 16:26:03 2013
New Revision: 21095

URL: http://svn.gna.org/viewcvs/relax?rev=21095&view=rev
Log:
A bit of help for some of the R1rho dispersion model system tests.

These fail after the fundamental fix of r21093.  The problem is only due to 
the very coarse grid
search size - a finer grid search allows the solution to be correctly found.  
However as this is far
too slow, instead the kex parameter is set to be close to the solution to 
skip a grid search
dimension.


Modified:
    
branches/relax_disp/test_suite/system_tests/scripts/relax_disp/r1rho_on_res_dpl94.py
    
branches/relax_disp/test_suite/system_tests/scripts/relax_disp/r1rho_on_res_m61.py

Modified: 
branches/relax_disp/test_suite/system_tests/scripts/relax_disp/r1rho_on_res_dpl94.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/relax_disp/test_suite/system_tests/scripts/relax_disp/r1rho_on_res_dpl94.py?rev=21095&r1=21094&r2=21095&view=diff
==============================================================================
--- 
branches/relax_disp/test_suite/system_tests/scripts/relax_disp/r1rho_on_res_dpl94.py
 (original)
+++ 
branches/relax_disp/test_suite/system_tests/scripts/relax_disp/r1rho_on_res_dpl94.py
 Mon Oct 14 16:26:03 2013
@@ -101,6 +101,9 @@
 # Read the chemical shift data.
 chemical_shift.read(file="nu_%s_ncyc1.list" % spin_lock[0], dir=data_path)
 
+# Set some parameters to speed up the optimisation.
+value.set(param='kex', val=1500.0)    # Real value of 1000.
+
 
 
 # Auto-analysis execution.

Modified: 
branches/relax_disp/test_suite/system_tests/scripts/relax_disp/r1rho_on_res_m61.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/relax_disp/test_suite/system_tests/scripts/relax_disp/r1rho_on_res_m61.py?rev=21095&r1=21094&r2=21095&view=diff
==============================================================================
--- 
branches/relax_disp/test_suite/system_tests/scripts/relax_disp/r1rho_on_res_m61.py
 (original)
+++ 
branches/relax_disp/test_suite/system_tests/scripts/relax_disp/r1rho_on_res_m61.py
 Mon Oct 14 16:26:03 2013
@@ -100,6 +100,9 @@
 # Clustering.
 relax_disp.cluster(cluster_id='cluster', spin_id='@N,NE1')
 
+# Set some parameters to speed up the optimisation.
+value.set(param='kex', val=1500.0)    # Real value of 1000.
+
 
 
 # Auto-analysis execution.




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