mailRe: r14451 - /branches/inversion-recovery/test_suite/shared_data/curve_fitting/


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Posted by Sébastien Morin on August 25, 2011 - 14:58:
Hi,

Of course, the commit message here should have been something like:

"Added a second spin in order for the error estimation based on replicated measurement to work."

Sorry for the previous commit message being reused...


Séb  :)


On 11-08-25 2:49 PM, sebastien.morin@xxxxxxxxx wrote:
Author: semor
Date: Thu Aug 25 14:49:39 2011
New Revision: 14451

URL: http://svn.gna.org/viewcvs/relax?rev=14451&view=rev
Log:
Merged revisions 14428-14429,14431,14433,14436-14442,14446-14447 via svnmerge 
from
svn+ssh://semor@xxxxxxxxxxx/svn/relax/1.3

........
   r14428 | bugman | 2011-08-25 11:41:18 +0200 (Thu, 25 Aug 2011) | 5 lines

   Deleted the STDOUT and STDERR capture mess in MF_minimise_command!

   This was a horrible design breaking both the GUI and the test suite!!!
........
   r14429 | bugman | 2011-08-25 11:42:03 +0200 (Thu, 25 Aug 2011) | 5 lines

   The uni-processor call to capture_stdio() has been removed.

   No IO redirection will be performed in uni-processor mode.
........
   r14431 | bugman | 2011-08-25 11:49:34 +0200 (Thu, 25 Aug 2011) | 6 lines

   Removed the IO redirection from the uni-processor return_object() method.

   IO redirection in the 'multi' package is a bad, bad idea and destroys all 
IO redirection any Python
   program is attempting to do.
........
   r14433 | bugman | 2011-08-25 11:55:56 +0200 (Thu, 25 Aug 2011) | 6 lines

   Eliminated the restore_stdio() method from the multi package.

   The redirection of IO streams is totally incompatible with an IO 
redirection performed by the
   underlying Python program.
........
   r14436 | bugman | 2011-08-25 12:12:25 +0200 (Thu, 25 Aug 2011) | 5 lines

   Fix for the RelaxError system - the status singleton was not being 
imported.

   This was a result of a faulty merger of the gui_testing branch.
........
   r14437 | bugman | 2011-08-25 12:13:07 +0200 (Thu, 25 Aug 2011) | 5 lines

   Removed the _sys_exit module variable from the mpi4py processor.

   This is unnecessary.
........
   r14438 | bugman | 2011-08-25 12:18:40 +0200 (Thu, 25 Aug 2011) | 3 lines

   Removed a pile of unused code from the mpi4py processor module.
........
   r14439 | bugman | 2011-08-25 12:19:59 +0200 (Thu, 25 Aug 2011) | 6 lines

   Reverted r14438 as the code actually was used.

   The command used was:
   svn merge -r14438:14437 .
........
   r14440 | bugman | 2011-08-25 12:22:17 +0200 (Thu, 25 Aug 2011) | 3 lines

   Some cleaning up of the mpi4py processor module.
........
   r14441 | bugman | 2011-08-25 12:24:18 +0200 (Thu, 25 Aug 2011) | 6 lines

   Reverted r14437 as _sys_exit is necessary for the mpi4py processor module.

   The command used was:
   svn merge -r14437:14436 .
........
   r14442 | bugman | 2011-08-25 12:26:31 +0200 (Thu, 25 Aug 2011) | 3 lines

   Fix for the pymol.write user function - the file name can be set to None!
........
   r14446 | bugman | 2011-08-25 12:53:45 +0200 (Thu, 25 Aug 2011) | 3 lines

   Fix for the GUI test mode - the mode variable should be a class variable.
........
   r14447 | bugman | 2011-08-25 12:55:11 +0200 (Thu, 25 Aug 2011) | 5 lines

   Some more fixes for the 'mode' class variable.

   These problems were due to the multi-processor code merger.
........

Modified:
     
branches/inversion-recovery/test_suite/shared_data/curve_fitting/T1_inv-recov_1100_ms.list
     
branches/inversion-recovery/test_suite/shared_data/curve_fitting/T1_inv-recov_1500_ms.list
     
branches/inversion-recovery/test_suite/shared_data/curve_fitting/T1_inv-recov_1950_ms.list
     
branches/inversion-recovery/test_suite/shared_data/curve_fitting/T1_inv-recov_1950_ms_bis.list
     
branches/inversion-recovery/test_suite/shared_data/curve_fitting/T1_inv-recov_200_ms.list
     
branches/inversion-recovery/test_suite/shared_data/curve_fitting/T1_inv-recov_2450_ms.list
     
branches/inversion-recovery/test_suite/shared_data/curve_fitting/T1_inv-recov_450_ms.list
     
branches/inversion-recovery/test_suite/shared_data/curve_fitting/T1_inv-recov_750_ms.list
     
branches/inversion-recovery/test_suite/shared_data/curve_fitting/T1_inv-recov_750_ms_bis.list

Modified: 
branches/inversion-recovery/test_suite/shared_data/curve_fitting/T1_inv-recov_1100_ms.list
URL: 
http://svn.gna.org/viewcvs/relax/branches/inversion-recovery/test_suite/shared_data/curve_fitting/T1_inv-recov_1100_ms.list?rev=14451&r1=14450&r2=14451&view=diff
==============================================================================
--- 
branches/inversion-recovery/test_suite/shared_data/curve_fitting/T1_inv-recov_1100_ms.list
 (original)
+++ 
branches/inversion-recovery/test_suite/shared_data/curve_fitting/T1_inv-recov_1100_ms.list
 Thu Aug 25 14:49:39 2011
@@ -1,3 +1,4 @@
        Assignment         w1         w2   Data Height

           LEU3N-HN    122.454      8.397       1.7
+         GLY4N-HN    111.999      8.719       8.2

Modified: 
branches/inversion-recovery/test_suite/shared_data/curve_fitting/T1_inv-recov_1500_ms.list
URL: 
http://svn.gna.org/viewcvs/relax/branches/inversion-recovery/test_suite/shared_data/curve_fitting/T1_inv-recov_1500_ms.list?rev=14451&r1=14450&r2=14451&view=diff
==============================================================================
--- 
branches/inversion-recovery/test_suite/shared_data/curve_fitting/T1_inv-recov_1500_ms.list
 (original)
+++ 
branches/inversion-recovery/test_suite/shared_data/curve_fitting/T1_inv-recov_1500_ms.list
 Thu Aug 25 14:49:39 2011
@@ -1,3 +1,4 @@
        Assignment         w1         w2   Data Height

           LEU3N-HN    122.454      8.397       7.3
+         GLY4N-HN    111.999      8.719      13.4

Modified: 
branches/inversion-recovery/test_suite/shared_data/curve_fitting/T1_inv-recov_1950_ms.list
URL: 
http://svn.gna.org/viewcvs/relax/branches/inversion-recovery/test_suite/shared_data/curve_fitting/T1_inv-recov_1950_ms.list?rev=14451&r1=14450&r2=14451&view=diff
==============================================================================
--- 
branches/inversion-recovery/test_suite/shared_data/curve_fitting/T1_inv-recov_1950_ms.list
 (original)
+++ 
branches/inversion-recovery/test_suite/shared_data/curve_fitting/T1_inv-recov_1950_ms.list
 Thu Aug 25 14:49:39 2011
@@ -1,3 +1,4 @@
        Assignment         w1         w2   Data Height

           LEU3N-HN    122.454      8.397       10.4
+         GLY4N-HN    111.999      8.719       17.0

Modified: 
branches/inversion-recovery/test_suite/shared_data/curve_fitting/T1_inv-recov_1950_ms_bis.list
URL: 
http://svn.gna.org/viewcvs/relax/branches/inversion-recovery/test_suite/shared_data/curve_fitting/T1_inv-recov_1950_ms_bis.list?rev=14451&r1=14450&r2=14451&view=diff
==============================================================================
--- 
branches/inversion-recovery/test_suite/shared_data/curve_fitting/T1_inv-recov_1950_ms_bis.list
 (original)
+++ 
branches/inversion-recovery/test_suite/shared_data/curve_fitting/T1_inv-recov_1950_ms_bis.list
 Thu Aug 25 14:49:39 2011
@@ -1,3 +1,4 @@
        Assignment         w1         w2   Data Height

           LEU3N-HN    122.454      8.397       9.8
+         GLY4N-HN    111.999      8.719      17.5

Modified: 
branches/inversion-recovery/test_suite/shared_data/curve_fitting/T1_inv-recov_200_ms.list
URL: 
http://svn.gna.org/viewcvs/relax/branches/inversion-recovery/test_suite/shared_data/curve_fitting/T1_inv-recov_200_ms.list?rev=14451&r1=14450&r2=14451&view=diff
==============================================================================
--- 
branches/inversion-recovery/test_suite/shared_data/curve_fitting/T1_inv-recov_200_ms.list
 (original)
+++ 
branches/inversion-recovery/test_suite/shared_data/curve_fitting/T1_inv-recov_200_ms.list
 Thu Aug 25 14:49:39 2011
@@ -1,3 +1,4 @@
        Assignment         w1         w2   Data Height

           LEU3N-HN    122.454      8.397       -33.5
+         GLY4N-HN    111.999      8.719       -18.9

Modified: 
branches/inversion-recovery/test_suite/shared_data/curve_fitting/T1_inv-recov_2450_ms.list
URL: 
http://svn.gna.org/viewcvs/relax/branches/inversion-recovery/test_suite/shared_data/curve_fitting/T1_inv-recov_2450_ms.list?rev=14451&r1=14450&r2=14451&view=diff
==============================================================================
--- 
branches/inversion-recovery/test_suite/shared_data/curve_fitting/T1_inv-recov_2450_ms.list
 (original)
+++ 
branches/inversion-recovery/test_suite/shared_data/curve_fitting/T1_inv-recov_2450_ms.list
 Thu Aug 25 14:49:39 2011
@@ -1,3 +1,4 @@
        Assignment         w1         w2   Data Height

           LEU3N-HN    122.454      8.397       12.0
+         GLY4N-HN    111.999      8.719       19.4

Modified: 
branches/inversion-recovery/test_suite/shared_data/curve_fitting/T1_inv-recov_450_ms.list
URL: 
http://svn.gna.org/viewcvs/relax/branches/inversion-recovery/test_suite/shared_data/curve_fitting/T1_inv-recov_450_ms.list?rev=14451&r1=14450&r2=14451&view=diff
==============================================================================
--- 
branches/inversion-recovery/test_suite/shared_data/curve_fitting/T1_inv-recov_450_ms.list
 (original)
+++ 
branches/inversion-recovery/test_suite/shared_data/curve_fitting/T1_inv-recov_450_ms.list
 Thu Aug 25 14:49:39 2011
@@ -1,3 +1,4 @@
        Assignment         w1         w2   Data Height

           LEU3N-HN    122.454      8.397       -18.2
+         GLY4N-HN    111.999      8.719        -8.3

Modified: 
branches/inversion-recovery/test_suite/shared_data/curve_fitting/T1_inv-recov_750_ms.list
URL: 
http://svn.gna.org/viewcvs/relax/branches/inversion-recovery/test_suite/shared_data/curve_fitting/T1_inv-recov_750_ms.list?rev=14451&r1=14450&r2=14451&view=diff
==============================================================================
--- 
branches/inversion-recovery/test_suite/shared_data/curve_fitting/T1_inv-recov_750_ms.list
 (original)
+++ 
branches/inversion-recovery/test_suite/shared_data/curve_fitting/T1_inv-recov_750_ms.list
 Thu Aug 25 14:49:39 2011
@@ -1,3 +1,4 @@
        Assignment         w1         w2   Data Height

           LEU3N-HN    122.454      8.397       -6.1
+         GLY4N-HN    111.999      8.719        0.9

Modified: 
branches/inversion-recovery/test_suite/shared_data/curve_fitting/T1_inv-recov_750_ms_bis.list
URL: 
http://svn.gna.org/viewcvs/relax/branches/inversion-recovery/test_suite/shared_data/curve_fitting/T1_inv-recov_750_ms_bis.list?rev=14451&r1=14450&r2=14451&view=diff
==============================================================================
--- 
branches/inversion-recovery/test_suite/shared_data/curve_fitting/T1_inv-recov_750_ms_bis.list
 (original)
+++ 
branches/inversion-recovery/test_suite/shared_data/curve_fitting/T1_inv-recov_750_ms_bis.list
 Thu Aug 25 14:49:39 2011
@@ -1,3 +1,4 @@
        Assignment         w1         w2   Data Height

           LEU3N-HN    122.454      8.397       -5.6
+         GLY4N-HN    111.999      8.719        0.7


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--
Sébastien Morin, Ph.D.
Postdoctoral Fellow, S. Grzesiek NMR Laboratory
Department of Structural Biology
Biozentrum, Universität Basel
Klingelbergstrasse 70
4056 Basel
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