Author: bugman
Date: Thu May 29 14:15:24 2014
New Revision: 23597
URL: http://svn.gna.org/viewcvs/relax?rev=23597&view=rev
Log:
Merged revisions 23425-23426,23431-23452,23455-23463 via svnmerge from
svn+ssh://bugman@xxxxxxxxxxx/svn/relax/branches/disp_speed
........
r23425 | tlinnet | 2014-05-26 16:27:27 +0200 (Mon, 26 May 2014) | 1 line
Deleted unit test case for lm63 3site.
........
r23426 | tlinnet | 2014-05-26 16:27:30 +0200 (Mon, 26 May 2014) | 17 lines
Added 8 unit tests demonstrating edge case 'no Rex' failures of the model
'M61'.
This follows from the ideas in the post
http://article.gmane.org/gmane.science.nmr.relax.devel/5858.
This is related to: task #7793: (https://gna.org/task/?7793) Speed-up of
dispersion models.
This is to implement catching of math domain errors, before they occur.
These tests cover all parameter value combinations which result in no
exchange:
- dw = 0.0,
- pA = 1.0,
- kex = 0.0,
- dw = 0.0 and pA = 1.0,
- dw = 0.0 and kex = 0.0,
- pA = 1.0 and kex = 0.0,
- dw = 0.0, pA = 1.0, and kex = 0.0.
- kex = 1e20,
........
r23431 | tlinnet | 2014-05-26 20:13:46 +0200 (Mon, 26 May 2014) | 10 lines
Added the 8th unit tests demonstrating edge case 'no Rex' failures of the
model 'DPL94'.
This follows from the ideas in the post
http://article.gmane.org/gmane.science.nmr.relax.devel/5858.
This is related to: task #7793: (https://gna.org/task/?7793) Speed-up of
dispersion models.
This is to implement catching of math domain errors, before they occur.
These tests cover all parameter value combinations which result in no
exchange:
- kex = 1e20,
........
r23432 | tlinnet | 2014-05-26 20:13:53 +0200 (Mon, 26 May 2014) | 1 line
Added "test_m61" to __init__.py in unit test directory.
........
r23433 | tlinnet | 2014-05-26 20:13:56 +0200 (Mon, 26 May 2014) | 17 lines
Added 8 unit tests demonstrating edge case 'no Rex' failures of the model
'M61b'.
This follows from the ideas in the post
http://article.gmane.org/gmane.science.nmr.relax.devel/5858.
This is related to: task #7793: (https://gna.org/task/?7793) Speed-up of
dispersion models.
This is to implement catching of math domain errors, before they occur.
These tests cover all parameter value combinations which result in no
exchange:
- dw = 0.0,
- pA = 1.0,
- kex = 0.0,
- dw = 0.0 and pA = 1.0,
- dw = 0.0 and kex = 0.0,
- pA = 1.0 and kex = 0.0,
- dw = 0.0, pA = 1.0, and kex = 0.0.
- kex = 1e20,
........
r23434 | tlinnet | 2014-05-26 20:14:01 +0200 (Mon, 26 May 2014) | 10 lines
Math-domain catching for model M61b.
task #7793: (https://gna.org/task/?7793) Speed-up of dispersion models.
This is to implement catching of math domain errors, before they occur.
These can be found via the --numpy-raise function to the systemtests.
To make the code look clean, the class object "back_calc" is no longer
being updated per time point, but is updated in the relax_disp target
function in
one go.
........
r23435 | tlinnet | 2014-05-26 20:14:03 +0200 (Mon, 26 May 2014) | 1 line
Modified script to be able to run systemtest
Relax_disp.xxx_test_m61b_data_to_m61b.
........
r23436 | tlinnet | 2014-05-26 20:14:05 +0200 (Mon, 26 May 2014) | 1 line
Added "test_m61b" to __init__.py file in unit test directory.
........
r23437 | tlinnet | 2014-05-26 20:14:07 +0200 (Mon, 26 May 2014) | 17 lines
Added 8 unit tests demonstrating edge case 'no Rex' failures of the model
'IT99'.
This follows from the ideas in the post
http://article.gmane.org/gmane.science.nmr.relax.devel/5858.
This is related to: task #7793: (https://gna.org/task/?7793) Speed-up of
dispersion models.
This is to implement catching of math domain errors, before they occur.
These tests cover all parameter value combinations which result in no
exchange:
- dw = 0.0,
- pA = 1.0,
- kex = 0.0,
- dw = 0.0 and pA = 1.0,
- dw = 0.0 and kex = 0.0,
- pA = 1.0 and kex = 0.0,
- dw = 0.0, pA = 1.0, and kex = 0.0.
- kex = 1e19,
........
r23438 | tlinnet | 2014-05-26 23:09:40 +0200 (Mon, 26 May 2014) | 18 lines
Added 9 unit tests demonstrating edge case 'no Rex' failures of the model
'MMQ CR72'.
This follows from the ideas in the post
http://article.gmane.org/gmane.science.nmr.relax.devel/5858.
This is related to: task #7793: (https://gna.org/task/?7793) Speed-up of
dispersion models.
This is to implement catching of math domain errors, before they occur.
These tests cover all parameter value combinations which result in no
exchange:
- dw = 0.0,
- pA = 1.0,
- kex = 0.0,
- dw = 0.0 and pA = 1.0,
- dw = 0.0 and kex = 0.0,
- pA = 1.0 and kex = 0.0,
- dw = 0.0, pA = 1.0, and kex = 0.0.
- kex = 1e5,
- dwH = 0.0,
........
r23439 | tlinnet | 2014-05-26 23:09:43 +0200 (Mon, 26 May 2014) | 8 lines
Critical fix for the math domain catching of model MMQ CR72.
This was discovered with the added 9 unit tests demonstrating edge case 'no
Rex' failures.
This follows from the ideas in the post
http://article.gmane.org/gmane.science.nmr.relax.devel/5858.
This is related to: task #7793: (https://gna.org/task/?7793) Speed-up of
dispersion models.
This is to implement catching of math domain errors, before they occur.
........
r23440 | tlinnet | 2014-05-26 23:09:45 +0200 (Mon, 26 May 2014) | 17 lines
Added 8 unit tests demonstrating edge case 'no Rex' failures of the model
'MP05'.
This follows from the ideas in the post
http://article.gmane.org/gmane.science.nmr.relax.devel/5858.
This is related to: task #7793: (https://gna.org/task/?7793) Speed-up of
dispersion models.
This is to implement catching of math domain errors, before they occur.
These tests cover all parameter value combinations which result in no
exchange:
- dw = 0.0,
- pA = 1.0,
- kex = 0.0,
- dw = 0.0 and pA = 1.0,
- dw = 0.0 and kex = 0.0,
- pA = 1.0 and kex = 0.0,
- dw = 0.0, pA = 1.0, and kex = 0.0.
- kex = 1e20,
........
r23441 | tlinnet | 2014-05-26 23:09:47 +0200 (Mon, 26 May 2014) | 10 lines
Critical fix for the math domain catching of model IT99.
This was discovered with the added 8 unit tests demonstrating edge case 'no
Rex' failures.
This follows from the ideas in the post
http://article.gmane.org/gmane.science.nmr.relax.devel/5858.
This is related to: task #7793: (https://gna.org/task/?7793) Speed-up of
dispersion models.
This is to implement catching of math domain errors, before they occur.
The cathing of these occurences needed to be re-written.
........
r23442 | tlinnet | 2014-05-26 23:09:50 +0200 (Mon, 26 May 2014) | 17 lines
Added 8 unit tests demonstrating edge case 'no Rex' failures of the model
'TAP03'.
This follows from the ideas in the post
http://article.gmane.org/gmane.science.nmr.relax.devel/5858.
This is related to: task #7793: (https://gna.org/task/?7793) Speed-up of
dispersion models.
This is to implement catching of math domain errors, before they occur.
These tests cover all parameter value combinations which result in no
exchange:
- dw = 0.0,
- pA = 1.0,
- kex = 0.0,
- dw = 0.0 and pA = 1.0,
- dw = 0.0 and kex = 0.0,
- pA = 1.0 and kex = 0.0,
- dw = 0.0, pA = 1.0, and kex = 0.0.
- kex = 1e20,
........
r23443 | tlinnet | 2014-05-26 23:09:52 +0200 (Mon, 26 May 2014) | 8 lines
Critical fix for the math domain catching of model TAP03.
This was discovered with the added 8 unit tests demonstrating edge case 'no
Rex' failures.
This follows from the ideas in the post
http://article.gmane.org/gmane.science.nmr.relax.devel/5858.
This is related to: task #7793: (https://gna.org/task/?7793) Speed-up of
dispersion models.
This is to implement catching of math domain errors, before they occur.
........
r23444 | tlinnet | 2014-05-26 23:09:54 +0200 (Mon, 26 May 2014) | 17 lines
Added 8 unit tests demonstrating edge case 'no Rex' failures of the model
'TP02'.
This follows from the ideas in the post
http://article.gmane.org/gmane.science.nmr.relax.devel/5858.
This is related to: task #7793: (https://gna.org/task/?7793) Speed-up of
dispersion models.
This is to implement catching of math domain errors, before they occur.
These tests cover all parameter value combinations which result in no
exchange:
- dw = 0.0,
- pA = 1.0,
- kex = 0.0,
- dw = 0.0 and pA = 1.0,
- dw = 0.0 and kex = 0.0,
- pA = 1.0 and kex = 0.0,
- dw = 0.0, pA = 1.0, and kex = 0.0.
- kex = 1e20,
........
r23445 | tlinnet | 2014-05-26 23:09:56 +0200 (Mon, 26 May 2014) | 8 lines
Critical fix for the math domain catching of model TP02.
This was discovered with the added 8 unit tests demonstrating edge case 'no
Rex' failures.
This follows from the ideas in the post
http://article.gmane.org/gmane.science.nmr.relax.devel/5858.
This is related to: task #7793: (https://gna.org/task/?7793) Speed-up of
dispersion models.
This is to implement catching of math domain errors, before they occur.
........
r23446 | tlinnet | 2014-05-26 23:09:58 +0200 (Mon, 26 May 2014) | 16 lines
Added 7 unit tests demonstrating edge case 'no Rex' failures of the model
'TSMFK01'.
This follows from the ideas in the post
http://article.gmane.org/gmane.science.nmr.relax.devel/5858.
This is related to: task #7793: (https://gna.org/task/?7793) Speed-up of
dispersion models.
This is to implement catching of math domain errors, before they occur.
These tests cover all parameter value combinations which result in no
exchange:
- dw = 0.0,
- pA = 1.0,
- kex = 0.0,
- dw = 0.0 and pA = 1.0,
- dw = 0.0 and kex = 0.0,
- pA = 1.0 and kex = 0.0,
- dw = 0.0, pA = 1.0, and kex = 0.0.
........
r23447 | tlinnet | 2014-05-26 23:10:00 +0200 (Mon, 26 May 2014) | 10 lines
Critical fix for the math domain catching of model TSMFK01.
This was discovered with the added 8 unit tests demonstrating edge case 'no
Rex' failures.
This follows from the ideas in the post
http://article.gmane.org/gmane.science.nmr.relax.devel/5858.
This is related to: task #7793: (https://gna.org/task/?7793) Speed-up of
dispersion models.
This is to implement catching of math domain errors, before they occur.
The cathing of these occurences needed to be re-written.
........
r23448 | tlinnet | 2014-05-26 23:10:03 +0200 (Mon, 26 May 2014) | 1 line
Added missing files to __init__.py in unit_tests/_lib/_dispersion.
........
r23449 | tlinnet | 2014-05-26 23:23:16 +0200 (Mon, 26 May 2014) | 3 lines
Copied unit test test_b14.py to test_ns_cpmg_2site_3d.py
........
r23450 | tlinnet | 2014-05-27 00:08:06 +0200 (Tue, 27 May 2014) | 17 lines
Added 8 unit tests demonstrating edge case 'no Rex' failures of the model
'NS CPMG 2site 3D'.
This follows from the ideas in the post
http://article.gmane.org/gmane.science.nmr.relax.devel/5858.
This is related to: task #7793: (https://gna.org/task/?7793) Speed-up of
dispersion models.
This is to implement catching of math domain errors, before they occur.
These tests cover all parameter value combinations which result in no
exchange:
- dw = 0.0,
- pA = 1.0,
- kex = 0.0,
- dw = 0.0 and pA = 1.0,
- dw = 0.0 and kex = 0.0,
- pA = 1.0 and kex = 0.0,
- dw = 0.0, pA = 1.0, and kex = 0.0.
- kex = 1e7,
........
r23451 | tlinnet | 2014-05-27 00:08:08 +0200 (Tue, 27 May 2014) | 8 lines
Critical fix for the math domain catching of model NS CPMG 2site 3D.
This was discovered with the added 8 unit tests demonstrating edge case 'no
Rex' failures.
This follows from the ideas in the post
http://article.gmane.org/gmane.science.nmr.relax.devel/5858.
This is related to: task #7793: (https://gna.org/task/?7793) Speed-up of
dispersion models.
This is to implement catching of math domain errors, before they occur.
........
r23452 | tlinnet | 2014-05-27 00:08:09 +0200 (Tue, 27 May 2014) | 1 line
Added missing files to __init__.py in unit_tests/_lib/_dispersion.
........
r23455 | tlinnet | 2014-05-27 12:24:56 +0200 (Tue, 27 May 2014) | 20 lines
Modified unit tests demonstrating edge cases 'no Rex' failures of the model
'TP02'.
The cathing of errors for off-resonance R1rho models was implemented wrong.
This follows from the ideas in the post
http://article.gmane.org/gmane.science.nmr.relax.devel/5858.
This is related to: task #7793: (https://gna.org/task/?7793) Speed-up of
dispersion models.
This was pointed out in the post
http://article.gmane.org/gmane.science.nmr.relax.devel/5938.
This is to implement catching of math domain errors, before they occur.
These tests cover all parameter value combinations which result in no
exchange:
- dw = 0.0,
- pA = 1.0,
- kex = 0.0,
- dw = 0.0 and pA = 1.0,
- dw = 0.0 and kex = 0.0,
- pA = 1.0 and kex = 0.0,
- dw = 0.0, pA = 1.0, and kex = 0.0.
- kex = 1e5,
........
r23456 | tlinnet | 2014-05-27 12:26:20 +0200 (Tue, 27 May 2014) | 5 lines
Critical fix for the math domain catching of model TP02.
The cathing of errors for off-resonance R1rho models was implemented wrong.
This was pointed out in the post
http://article.gmane.org/gmane.science.nmr.relax.devel/5938.
........
r23457 | tlinnet | 2014-05-27 12:26:22 +0200 (Tue, 27 May 2014) | 3 lines
Modified unit tests demonstrating edge cases 'no Rex' failures of the model
'DPL94'.
This was pointed out in the post
http://article.gmane.org/gmane.science.nmr.relax.devel/5938.
........
r23458 | tlinnet | 2014-05-27 12:26:23 +0200 (Tue, 27 May 2014) | 10 lines
Modified unit tests demonstrating edge cases 'no Rex' failures of the model
'MP05'.
The cathing of errors for off-resonance R1rho models was implemented wrong.
This was pointed out in the post
http://article.gmane.org/gmane.science.nmr.relax.devel/5938.
This follows from the ideas in the post
http://article.gmane.org/gmane.science.nmr.relax.devel/5858.
This is related to: task #7793: (https://gna.org/task/?7793) Speed-up of
dispersion models.
This is to implement catching of math domain errors, before they occur.
........
r23459 | tlinnet | 2014-05-27 12:26:25 +0200 (Tue, 27 May 2014) | 5 lines
Critical fix for the math domain catching of model MP05.
The cathing of errors for off-resonance R1rho models was implemented wrong.
This was pointed out in the post
http://article.gmane.org/gmane.science.nmr.relax.devel/5938.
........
r23460 | tlinnet | 2014-05-27 12:26:26 +0200 (Tue, 27 May 2014) | 9 lines
Modified unit tests demonstrating edge cases 'no Rex' failures of the model
'TAP03'.
The cathing of errors for off-resonance R1rho models was implemented wrong.
This was pointed out in the post
http://article.gmane.org/gmane.science.nmr.relax.devel/5938.
And post http://article.gmane.org/gmane.science.nmr.relax.devel/5944.
This follows from the ideas in the post
http://article.gmane.org/gmane.science.nmr.relax.devel/5858.
This is related to: task #7793: (https://gna.org/task/?7793) Speed-up of
dispersion models.
........
r23461 | tlinnet | 2014-05-27 12:26:28 +0200 (Tue, 27 May 2014) | 6 lines
Critical fix for the math domain catching of model TAP03.
The cathing of errors for off-resonance R1rho models was implemented wrong.
This was pointed out in the post
http://article.gmane.org/gmane.science.nmr.relax.devel/5938.
And post http://article.gmane.org/gmane.science.nmr.relax.devel/5944.
........
r23462 | tlinnet | 2014-05-27 12:26:30 +0200 (Tue, 27 May 2014) | 7 lines
Modified unit tests demonstrating edge cases 'no Rex' failures of the model
'MMQ CR72'.
This was pointed out in post
http://article.gmane.org/gmane.science.nmr.relax.devel/5940.
And in post http://article.gmane.org/gmane.science.nmr.relax.devel/5946.
This follows from the ideas in the post
http://article.gmane.org/gmane.science.nmr.relax.devel/5858.
This is related to: task #7793: (https://gna.org/task/?7793) Speed-up of
dispersion models.
........
r23463 | tlinnet | 2014-05-27 12:26:32 +0200 (Tue, 27 May 2014) | 4 lines
Small fix for the math domain catching of model MMQ CR72.
This was pointed out in the post
http://article.gmane.org/gmane.science.nmr.relax.devel/5940.
And in post http://article.gmane.org/gmane.science.nmr.relax.devel/5946.
........
Added:
trunk/test_suite/unit_tests/_lib/_dispersion/test_ns_cpmg_2site_3d.py
- copied unchanged from r23463,
branches/disp_speed/test_suite/unit_tests/_lib/_dispersion/test_ns_cpmg_2site_3d.py
Removed:
trunk/test_suite/unit_tests/_lib/_dispersion/test_lm63_3site.py
Modified:
trunk/ (props changed)
trunk/lib/dispersion/m61b.py
trunk/lib/dispersion/mmq_cr72.py
trunk/lib/dispersion/mp05.py
trunk/lib/dispersion/ns_cpmg_2site_3d.py
trunk/lib/dispersion/tap03.py
trunk/lib/dispersion/tp02.py
trunk/lib/dispersion/tsmfk01.py
trunk/target_functions/relax_disp.py
trunk/test_suite/system_tests/scripts/relax_disp/r1rho_on_res_m61b.py
trunk/test_suite/unit_tests/_lib/_dispersion/__init__.py
trunk/test_suite/unit_tests/_lib/_dispersion/test_dpl94.py
trunk/test_suite/unit_tests/_lib/_dispersion/test_it99.py
trunk/test_suite/unit_tests/_lib/_dispersion/test_m61.py
trunk/test_suite/unit_tests/_lib/_dispersion/test_m61b.py
trunk/test_suite/unit_tests/_lib/_dispersion/test_mmq_cr72.py
trunk/test_suite/unit_tests/_lib/_dispersion/test_mp05.py
trunk/test_suite/unit_tests/_lib/_dispersion/test_tap03.py
trunk/test_suite/unit_tests/_lib/_dispersion/test_tp02.py
trunk/test_suite/unit_tests/_lib/_dispersion/test_tsmfk01.py
[This mail would be too long, it was shortened to contain the URLs only.]
Modified: trunk/lib/dispersion/m61b.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/lib/dispersion/m61b.py?rev=23597&r1=23596&r2=23597&view=diff
Modified: trunk/lib/dispersion/mmq_cr72.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/lib/dispersion/mmq_cr72.py?rev=23597&r1=23596&r2=23597&view=diff
Modified: trunk/lib/dispersion/mp05.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/lib/dispersion/mp05.py?rev=23597&r1=23596&r2=23597&view=diff
Modified: trunk/lib/dispersion/ns_cpmg_2site_3d.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/lib/dispersion/ns_cpmg_2site_3d.py?rev=23597&r1=23596&r2=23597&view=diff
Modified: trunk/lib/dispersion/tap03.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/lib/dispersion/tap03.py?rev=23597&r1=23596&r2=23597&view=diff
Modified: trunk/lib/dispersion/tp02.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/lib/dispersion/tp02.py?rev=23597&r1=23596&r2=23597&view=diff
Modified: trunk/lib/dispersion/tsmfk01.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/lib/dispersion/tsmfk01.py?rev=23597&r1=23596&r2=23597&view=diff
Modified: trunk/target_functions/relax_disp.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/target_functions/relax_disp.py?rev=23597&r1=23596&r2=23597&view=diff
Modified:
trunk/test_suite/system_tests/scripts/relax_disp/r1rho_on_res_m61b.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/system_tests/scripts/relax_disp/r1rho_on_res_m61b.py?rev=23597&r1=23596&r2=23597&view=diff
Modified: trunk/test_suite/unit_tests/_lib/_dispersion/__init__.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/unit_tests/_lib/_dispersion/__init__.py?rev=23597&r1=23596&r2=23597&view=diff
Modified: trunk/test_suite/unit_tests/_lib/_dispersion/test_dpl94.py
[... 29 lines stripped ...]
r23597 - in /trunk: ./ lib/dispersion/ target_functions/ test_suite/system_tests/scripts/relax_disp/ test_suite/unit_tests/_...