r3303 - in /1.3: maths_fns/jw_mapping.py test_suite/system_tests/jw_mapping.py -- June 20, 2007 - 11:10

Author: bugman
Date: Wed Jun 20 11:09:54 2007
New Revision: 3303

URL: http://svn.gna.org/viewcvs/relax?rev=3303&view=rev
Log:
Hand ported r3302 from the 1.2 line, the fix for bug #9259 
(https://gna.org/bugs/?9259).

The commands used where:
svn merge -r3301:3302 
svn+ssh://bugman@xxxxxxxxxxx/svn/relax/1.2/maths_fns/jw_mapping.py 
maths_fns/jw_mapping.py
svn merge -r3301:3302 
svn+ssh://bugman@xxxxxxxxxxx/svn/relax/1.2/test_suite/jw_mapping.py 
test_suite/system_tests/jw_mapping.py

.....
 r3302 | bugman | 2007-06-20 09:29:52 +0200 (Wed, 20 Jun 2007) | 15 lines
 Changed paths:
    M /1.2/maths_fns/jw_mapping.py
    M /1.2/test_suite/jw_mapping.py

 Fix for bug #9259 (https://gna.org/bugs/?9259).

 This fix was created by Sebastien Morin (sebastien dott morin dot 1 at 
ulaval dot ca) and attached
 as the patch file 'patch_2007-06-19' attached to the bug report.  The thread 
on the relax-devel
 mailing list begins at 
https://mail.gna.org/public/relax-devel/2007-06/msg00001.html.  The exact
 source of the bug was identified here 
https://mail.gna.org/public/relax-devel/2007-06/msg00003.html.
 An important explanation of SI vs. CGS units, frequency vs. angular 
frequency, and why the frequency
 is converted to angular frequency by multiplying by 2pi is located here
 https://mail.gna.org/public/relax-devel/2007-06/msg00012.html.

 The bug was that the heteronuclear frequency wX was being overwritten by the 
proton frequency wH in
 the reduced spectral density mapping code.  Both the reduced spectral 
mapping code and the test
 suite have been fixed by Seb.
.....


Modified:
    1.3/maths_fns/jw_mapping.py
    1.3/test_suite/system_tests/jw_mapping.py

Modified: 1.3/maths_fns/jw_mapping.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/maths_fns/jw_mapping.py?rev=3303&r1=3302&r2=3303&view=diff
==============================================================================
--- 1.3/maths_fns/jw_mapping.py (original)
+++ 1.3/maths_fns/jw_mapping.py Wed Jun 20 11:09:54 2007
@@ -55,11 +55,10 @@
         # Calculate the five frequencies which cause R1, R2, and NOE 
relaxation.
         self.data.frq_list = zeros((1, 5), Float64)
         self.data.frq_list[0, 1] = frqX
-        self.data.frq_list[0, 1] = frq - frqX
-        self.data.frq_list[0, 1] = frq
-        self.data.frq_list[0, 1] = frq + frqX
+        self.data.frq_list[0, 2] = frq - frqX
+        self.data.frq_list[0, 3] = frq
+        self.data.frq_list[0, 4] = frq + frqX
         self.data.frq_sqrd_list = self.data.frq_list ** 2
-
 
 
     def calc_sigma_noe(self, noe, r1):

Modified: 1.3/test_suite/system_tests/jw_mapping.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/test_suite/system_tests/jw_mapping.py?rev=3303&r1=3302&r2=3303&view=diff
==============================================================================
--- 1.3/test_suite/system_tests/jw_mapping.py (original)
+++ 1.3/test_suite/system_tests/jw_mapping.py Wed Jun 20 11:09:54 2007
@@ -76,9 +76,9 @@
     def calc_integrity(self):
         
         # Correct jw values:
-        j0 = [1.89952400461e-10, 1.76120490832e-10]
-        jwx = [8.61308100067e-12, 7.62898461858e-12]
-        jwh = [1.55981675127e-12, 2.9480536599e-12]
+        j0 = [4.0958793960056238e-09, 3.7976266046729745e-09]
+        jwx = [1.85720953886864e-10, 1.6450121628270092e-10]
+        jwh = [1.5598167512718012e-12, 2.9480536599037041e-12]
 
         # Loop over residues.
         for index,residue in enumerate(relax_data_store.res[self.run]):