Hi Ed.
In the branch, these now fails:
F 7.58 s for Relax_disp.test_hansen_cpmg_data_missing_auto_analysis
F 1.52 s for Relax_disp.test_hansen_cpmg_data_to_lm63
test_hansen_cpmg_data_missing_auto_analysis
Parameter Value (:4) Value (:70) Value (:71)
R2 (500 MHz) 1.60452966296907 6.97268077496405
4.98123328466942
R2 (800 MHz) 1.63223230080618 9.41028133407727
7.64929786833292e-05
pA 0.720760281714722 0.989856641885939
0.996607425484157
dw 1.129978566257e-13 5.60889911049405
4.34346257383825
kex 6.53499879470298e-17 1752.62025618632
1936.73197158804
chi2 26.735669607943 53.838219696406
5.51703791653498
Traceback (most recent call last):
File
"/Users/tlinnet/software/disp_spin_speed/test_suite/system_tests/relax_disp.py",
line 2237, in test_hansen_cpmg_data_missing_auto_analysis
self.assertAlmostEqual(spin4.pA, 0.818979078699935, 3)
AssertionError: 0.72076028171472162 != 0.818979078699935 within 3 places
test_hansen_cpmg_data_to_lm63
Parameter Value (:70) Value (:71)
R2 (500 MHz) 6.74362296312195 5.00776658003049
R2 (800 MHz) 6.57406796119727 6.83345258631709
phi_ex 0.31273301474402 0.0553787826054241
kex 4723.09898929193 2781.72292639007
chi2 363.534044873483 17.0776399916288
Traceback (most recent call last):
File
"/Users/tlinnet/software/disp_spin_speed/test_suite/system_tests/relax_disp.py",
line 2485, in test_hansen_cpmg_data_to_lm63
self.assertAlmostEqual(spin70.r2[r20_key2], 6.57406788826655)
AssertionError: 6.5740679611972741 != 6.57406788826655 within 7 places
relax repository checkout r24044
svn+ssh://svn.gna.org/svn/relax/branches/disp_spin_speed
Molecular dynamics by NMR data analysis
Copyright (C) 2001-2006 Edward d'Auvergne
Copyright (C) 2006-2014 the relax development
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Processor: i386
Processor name: Intel(R) Core(TM) i5-2435M CPU @ 2.40GHz
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Release: 13.2.0
Version: Darwin Kernel Version 13.2.0: Thu Apr 17
23:03:13 PDT 2014; root:xnu-2422.100.13~1/RELEASE_X86_64
Mac version: 10.9.3 (, , ) x86_64
Distribution:
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Python information:
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Python version: 2.7.6
Python branch:
Python build: default, Apr 11 2014 11:55:30
Python compiler: GCC 4.2.1 (Apple Inc. build 5666) (dot 3)
Libc version:
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/Users/tlinnet/Library/Enthought/Canopy_64bit/User/lib/python2.7/site-packages/bmrblib
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relax information:
Version: repository checkout r24044
svn+ssh://svn.gna.org/svn/relax/branches/disp_spin_speed
Processor fabric: Uni-processor.
relax C modules:
Module Compiled File type
Path
target_functions.relax_fit True 2-way ['Mach-O 64-bit bundle
x86_64', 'Mach-O bundle i386']
/Users/tlinnet/software/disp_spin_speed/target_functions/relax_fit.so
2014-06-17 17:14 GMT+02:00 Edward d'Auvergne <edward@xxxxxxxxxxxxx>:
Sorry, I meant the Relax_disp.test_hansen_cpmg_data_to_lm63_3site
system test that was deleted in r24024 in trunk.
Cheers,
Edward
On 17 June 2014 17:13, Edward d'Auvergne <edward@xxxxxxxxxxxxx> wrote:
Hi Troels,
Note that after this commit, you must absolutely use the new minfx
1.0.7 that I just released
(https://gna.org/forum/forum.php?forum_id=2466). All relaxation
dispersion system tests now pass in trunk, including the new
Relax_disp.test_lm63_3site_synthetic test. You should restore the
Relax_disp.test_lm63_3site_synthetic system test you deleted and
adjust the values so that we have better test coverage of the 'LM63
3-site' model (http://wiki.nmr-relax.com/LM63_3-site) as mentioned in
http://thread.gmane.org/gmane.science.nmr.relax.scm/21774/focus=6300.
Regards,
Edward
On 17 June 2014 17:06, <tlinnet@xxxxxxxxxxxxx> wrote:
Author: tlinnet
Date: Tue Jun 17 17:06:56 2014
New Revision: 24044
URL: http://svn.gna.org/viewcvs/relax?rev=24044&view=rev
Log:
Merged revisions 24040,24043 via svnmerge from
svn+ssh://tlinnet@xxxxxxxxxxx/svn/relax/trunk
........
r24040 | bugman | 2014-06-17 15:56:47 +0200 (Tue, 17 Jun 2014) | 9
lines
Fixes for all of the relaxation dispersion system tests which were
failing with the new minfx code.
Due to the tuning of the log barrier constraint algorithm in minfx
in the commit at
http://article.gmane.org/gmane.science.mathematics.minfx.scm/25,
many system tests needed to be
slightly adjusted. Two of the Relax_disp.test_tp02_data_to_* system
tests were also failing as the
optimisation can no longer move out of the minimum at pA = 0.5 for
one spin (due to the low quality
grid search in the auto-analysis).
........
r24043 | bugman | 2014-06-17 17:02:17 +0200 (Tue, 17 Jun 2014) | 3
lines
Updated the release checklist document for the new 1.0.7 release of
minfx.
........
Modified:
branches/disp_spin_speed/ (props changed)
branches/disp_spin_speed/docs/Release_Checklist
branches/disp_spin_speed/test_suite/system_tests/relax_disp.py
[This mail would be too long, it was shortened to contain the URLs
only.]
Modified: branches/disp_spin_speed/docs/Release_Checklist
URL:
http://svn.gna.org/viewcvs/relax/branches/disp_spin_speed/docs/Release_Checklist?rev=24044&r1=24043&r2=24044&view=diff
Modified:
branches/disp_spin_speed/test_suite/system_tests/relax_disp.py
URL:
http://svn.gna.org/viewcvs/relax/branches/disp_spin_speed/test_suite/system_tests/relax_disp.py?rev=24044&r1=24043&r2=24044&view=diff
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Re: r24044 - in /branches/disp_spin_speed: ./ docs/Release_Checklist test_suite/system_tests/relax_disp.py