r3297 - in /1.3: maths_fns/jw_mapping.py test_suite/system_tests/jw_mapping.py -- May 30, 2007 - 17:04

Author: bugman
Date: Wed May 30 17:04:16 2007
New Revision: 3297

URL: http://svn.gna.org/viewcvs/relax?rev=3297&view=rev
Log:
Fix for bug #9238 (https://gna.org/bugs/?9238).

This fatal bug was reported by Sébastien Morin.

The fix was slightly different from that posted in the bug report as the 
factor of 2 pi was still
required.


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=3297&r1=3296&r2=3297&view=diff
==============================================================================
--- 1.3/maths_fns/jw_mapping.py (original)
+++ 1.3/maths_fns/jw_mapping.py Wed May 30 17:04:16 2007
@@ -48,8 +48,9 @@
         self.data.dip_const_func = 0.0
         self.data.csa_const_func = zeros(1, Float64)
 
-        # Heteronuclear frequency.
-        frqX = 2.0 * pi * frq
+        # Nuclear frequencies.
+        frq = frq * 2 * pi
+        frqX = frq * self.data.gx / self.data.gh
 
         # Calculate the five frequencies which cause R1, R2, and NOE 
relaxation.
         self.data.frq_list = zeros((1, 5), Float64)

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=3297&r1=3296&r2=3297&view=diff
==============================================================================
--- 1.3/test_suite/system_tests/jw_mapping.py (original)
+++ 1.3/test_suite/system_tests/jw_mapping.py Wed May 30 17:04:16 2007
@@ -76,13 +76,12 @@
     def calc_integrity(self):
         
         # Correct jw values:
-        j0 = [1.1572932929675908e-10, 1.0730217796621087e-10]
-        jwh = [1.5598167512718012e-12, 2.9480536599037041e-12]
-        jwx = [5.2475572036231835e-12, 4.6479921863578077e-12]
+        j0 = [1.89952400461e-10, 1.76120490832e-10]
+        jwx = [8.61308100067e-12, 7.62898461858e-12]
+        jwh = [1.55981675127e-12, 2.9480536599e-12]
 
         # Loop over residues.
         for index,residue in enumerate(relax_data_store.res[self.run]):
-            
             # Residues -2 and -1 have data.
             if index == 0 or index == 1:
                 if not relax_data_store.res[self.run][index].select: