They dont fail in trunk?

2014-06-17 17:34 GMT+02:00 Troels Emtekær Linnet <[email protected]>:

> 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 team
>
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> Processor fabric:  Uni-processor.
>
>
> Hardware information:
>     Machine:                 x86_64
>     Processor:               i386
>     Processor name:          Intel(R) Core(TM) i5-2435M CPU @ 2.40GHz
>     Endianness:              little
>     Total RAM size:          2048.0 Mb
>     Total swap size:         6144.0 Mb
>
> Operating system information:
>     System:                  Darwin
>     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:
>     Full platform string:    Darwin-13.2.0-x86_64-i386-64bit
>
> Python information:
>     Architecture:            64bit
>     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:
>     Python implementation:   CPython
>     Python revision:
>     Python executable:
> /Users/tlinnet/Library/Enthought/Canopy_64bit/User/bin/pythonw
>     Python flags:            sys.flags(debug=0, py3k_warning=0,
> division_warning=0, division_new=0, inspect=0, interactive=0, optimize=0,
> dont_write_bytecode=0, no_user_site=0, no_site=0, ignore_environment=0,
> tabcheck=0, verbose=0, unicode=0, bytes_warning=0, hash_randomization=0)
>     Python float info:       sys.float_info(max=1.7976931348623157e+308,
> max_exp=1024, max_10_exp=308, min=2.2250738585072014e-308, min_exp=-1021,
> min_10_exp=-307, dig=15, mant_dig=53, epsilon=2.220446049250313e-16,
> radix=2, rounds=1)
>     Python module path:      ['/Users/tlinnet/software/disp_spin_speed',
> '/Applications/Canopy.app/appdata/canopy-1.4.0.1938.macosx-x86_64/Canopy.app/Contents/lib/python27.zip',
> '/Applications/Canopy.app/appdata/canopy-1.4.0.1938.macosx-x86_64/Canopy.app/Contents/lib/python2.7',
> '/Applications/Canopy.app/appdata/canopy-1.4.0.1938.macosx-x86_64/Canopy.app/Contents/lib/python2.7/plat-darwin',
> '/Applications/Canopy.app/appdata/canopy-1.4.0.1938.macosx-x86_64/Canopy.app/Contents/lib/python2.7/plat-mac',
> '/Applications/Canopy.app/appdata/canopy-1.4.0.1938.macosx-x86_64/Canopy.app/Contents/lib/python2.7/plat-mac/lib-scriptpackages',
> '/Applications/Canopy.app/appdata/canopy-1.4.0.1938.macosx-x86_64/Canopy.app/Contents/lib/python2.7/lib-tk',
> '/Applications/Canopy.app/appdata/canopy-1.4.0.1938.macosx-x86_64/Canopy.app/Contents/lib/python2.7/lib-old',
> '/Applications/Canopy.app/appdata/canopy-1.4.0.1938.macosx-x86_64/Canopy.app/Contents/lib/python2.7/lib-dynload',
> '/Users/tlinnet/Library/Enthought/Canopy_64bit/User/lib/python2.7/site-packages',
> '/Users/tlinnet/Library/Enthought/Canopy_64bit/User/lib/python2.7/site-packages/PIL',
> '/Applications/Canopy.app/appdata/canopy-1.4.0.1938.macosx-x86_64/Canopy.app/Contents/lib/python2.7/site-packages']
>
> Python packages and modules (most are optional):
>
> Name               Installed    Version                        Path
>
>
> minfx              True         1.0.7
>  
> /Users/tlinnet/Library/Enthought/Canopy_64bit/User/lib/python2.7/site-packages/minfx
>
> bmrblib            True         1.0.3
>  
> /Users/tlinnet/Library/Enthought/Canopy_64bit/User/lib/python2.7/site-packages/bmrblib
>
> numpy              True         1.8.0
>  
> /Users/tlinnet/Library/Enthought/Canopy_64bit/User/lib/python2.7/site-packages/numpy
>
> scipy              True         0.13.3
> /Users/tlinnet/Library/Enthought/Canopy_64bit/User/lib/python2.7/site-packages/scipy
>
> wxPython           True         2.9.2.4 osx-cocoa (classic)
>  
> /Users/tlinnet/Library/Enthought/Canopy_64bit/User/lib/python2.7/site-packages/wx
>
> matplotlib         True         1.3.1
>  
> /Users/tlinnet/Library/Enthought/Canopy_64bit/User/lib/python2.7/site-packages/matplotlib
>
> mpi4py             False
>
>
> epydoc             True         3.0.1
>  
> /Users/tlinnet/Library/Enthought/Canopy_64bit/User/lib/python2.7/site-packages/epydoc
>
> optparse           True         1.5.3
>  
> /Applications/Canopy.app/appdata/canopy-1.4.0.1938.macosx-x86_64/Canopy.app/Contents/lib/python2.7/optparse.pyc
>
> readline           True
>  
> /Users/tlinnet/Library/Enthought/Canopy_64bit/User/lib/python2.7/site-packages/readline.so
>
> profile            True
>  
> /Applications/Canopy.app/appdata/canopy-1.4.0.1938.macosx-x86_64/Canopy.app/Contents/lib/python2.7/profile.pyc
>
> bz2                True
>  
> /Applications/Canopy.app/appdata/canopy-1.4.0.1938.macosx-x86_64/Canopy.app/Contents/lib/python2.7/lib-dynload/bz2.so
>
> gzip               True
>  
> /Applications/Canopy.app/appdata/canopy-1.4.0.1938.macosx-x86_64/Canopy.app/Contents/lib/python2.7/gzip.pyc
>
> io                 True
>  
> /Applications/Canopy.app/appdata/canopy-1.4.0.1938.macosx-x86_64/Canopy.app/Contents/lib/python2.7/io.pyc
>
> xml                True         0.8.4 (internal)
> /Applications/Canopy.app/appdata/canopy-1.4.0.1938.macosx-x86_64/Canopy.app/Contents/lib/python2.7/xml/__init__.pyc
>
> xml.dom.minidom    True
>  
> /Applications/Canopy.app/appdata/canopy-1.4.0.1938.macosx-x86_64/Canopy.app/Contents/lib/python2.7/xml/dom/minidom.pyc
>
>
> 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 <[email protected]>:
>
> 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 <[email protected]> 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,  <[email protected]> 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://[email protected]/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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