svn+ssh://bugman@.../svn/relax/1.3
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r11890 | bugman | 2010-12-17 20:41:01 +0100 (Fri, 17 Dec 2010) | 6 lines
Added test data and a script for testing the reading of CCPN Analysis 2.1 sparky peak lists.
This is data from bug #17341 (https://gna.org/bugs/?17341) submitted by Madeleine Strickland <M dot
Strickland att bristol dot ac dott uk>.
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r11891 | bugman | 2010-12-17 20:51:17 +0100 (Fri, 17 Dec 2010) | 6 lines
Fix for bug #17344 (https://gna.org/bugs/index.php?17344), the broken grace.view() user function.
This has been broken since January, and is released in relax 1.3.5, but no one seems to have
noticed :S
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r11892 | bugman | 2010-12-17 20:51:48 +0100 (Fri, 17 Dec 2010) | 3 lines
The grace executable file is now set to '' in the CCPN analysis peak list system test.
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r11893 | bugman | 2010-12-17 21:11:13 +0100 (Fri, 17 Dec 2010) | 5 lines
Implemented and activated the CCPN Analysis 2.1 peak list reading system test.
This is to catch bug #17341 (https://gna.org/bugs/index.php?17341).
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r11894 | bugman | 2010-12-17 22:59:29 +0100 (Fri, 17 Dec 2010) | 3 lines
Decreased the number of MC sims to speed up the CCPN Analysis peak list reading system test.
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r11895 | bugman | 2010-12-17 22:59:53 +0100 (Fri, 17 Dec 2010) | 3 lines
Bug fix for the CCPN Analysis peak list system test.
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r11896 | bugman | 2010-12-17 23:37:16 +0100 (Fri, 17 Dec 2010) | 6 lines
Added support for CCPN Analysis 2.1 peak lists (exported in Sparky format).
This is a fix for bug #17341 (https://gna.org/bugs/index.php?17341) reported by Madeleine Strickland
<M dott Strickland att bristol dot ac dot uk>.
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r11900 | bugman | 2010-12-19 15:43:54 +0100 (Sun, 19 Dec 2010) | 7 lines
Removed the 2 from CH2 in the atom list in the element determining function.
This is in response to Vitaly Vostrikov's <vvostri att gmail dott com> message at Message-id:
<AANLkTimYA4H7=WbMwzgpxaTJ6_nArKu=ed9VNdXCSuDB@...>,
https://mail.gna.org/public/relax-users/2010-12/msg00013.html.
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r11904 | bugman | 2010-12-20 14:05:59 +0100 (Mon, 20 Dec 2010) | 6 lines
Added a system test for reading relax 1.2.x version results files.
This is from Sebastian Morin's PSE-4 data, truncated, and is to catch the bug of not being able to
handle simulations.
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r11905 | bugman | 2010-12-20 14:18:21 +0100 (Mon, 20 Dec 2010) | 5 lines
Fix for bug #17361 (https://gna.org/bugs/index.php?17361).
The chi2_sim structure should have been initialised to a list, not a dictionary.
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r11906 | bugman | 2010-12-20 14:30:16 +0100 (Mon, 20 Dec 2010) | 6 lines
Another fix for bug #17361 (https://gna.org/bugs/index.php?17361) the loading 1.2.x sim data.
This time the global structures were too large - the lists were being appended to for each spin and
simulation, rather than only each simulation.
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r11907 | bugman | 2010-12-20 14:46:26 +0100 (Mon, 20 Dec 2010) | 3 lines
For the 1.2 results files, the model information is now being setup even if None.
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r11908 | bugman | 2010-12-20 15:06:02 +0100 (Mon, 20 Dec 2010) | 3 lines
Bug fix for the relaxation data add_data_to_spin() function - missing data was not properly eliminated.
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r11909 | bugman | 2010-12-20 15:37:26 +0100 (Mon, 20 Dec 2010) | 3 lines
Completed the test_read_results_1_2_pse() model-free system test for reading relax 1.2.x results.
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r11910 | bugman | 2010-12-20 15:47:46 +0100 (Mon, 20 Dec 2010) | 5 lines
Last fix for bug #17361 (https://gna.org/bugs/index.php?17361) the loading 1.2.x sim data.
The frequency information is now correctly updated when data is missing.
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r11911 | bugman | 2010-12-20 16:02:00 +0100 (Mon, 20 Dec 2010) | 3 lines
Updated some test data for the unit tests.
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r11912 | bugman | 2010-12-20 16:15:19 +0100 (Mon, 20 Dec 2010) | 3 lines
Added a system test to check that relax save files cannot be loaded as results files.
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r11913 | bugman | 2010-12-20 16:15:56 +0100 (Mon, 20 Dec 2010) | 3 lines
Added a check to make sure the relax save states can not be loaded by results.read().
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r11914 | bugman | 2010-12-20 16:28:56 +0100 (Mon, 20 Dec 2010) | 6 lines
Reverted r11913 as this was completely wrong and broke the reading of results files.
The command used was:
svn merge -r11913:11912 .
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r11915 | bugman | 2010-12-20 16:33:45 +0100 (Mon, 20 Dec 2010) | 17 lines
Reverted r11912 as this system test was useless and incorrect.
There is currently no way to see the difference between a save state and a results file unless there
are multiple pipes.
The command used was:
svn merge -r11912:11911 .
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r11912 | bugman | 2010-12-20 16:15:19 +0100 (Mon, 20 Dec 2010) | 3 lines
Changed paths:
M /1.3/test_suite/system_tests/results.py
Added a system test to check that relax save files cannot be loaded as results files.
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