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List: relax-commits
Subject: r3297 - in /1.3: maths_fns/jw_mapping.py test_suite/system_tests/jw_mapping.py
From: edward () domain ! hid
Date: 2007-05-30 15:04:17
Message-ID: E1HtPij-000815-Ao () domain ! hid
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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:
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