Author: bugman Date: Mon Dec 20 16:41:30 2010 New Revision: 11916 URL: http://svn.gna.org/viewcvs/relax?rev=11916&view=rev Log: Merged revisions 11890-11896,11900,11904-11915 via svnmerge from svn+ssh://bugman@xxxxxxxxxxx/svn/relax/1.3 ........ 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>. ........ 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 ........ 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. ........ 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). ........ 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. ........ 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. ........ 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>. ........ 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@xxxxxxxxxxxxxx>, https://mail.gna.org/public/relax-users/2010-12/msg00013.html. ........ 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. ........ 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. ........ 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. ........ 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. ........ 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. ........ 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. ........ 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. ........ r11911 | bugman | 2010-12-20 16:02:00 +0100 (Mon, 20 Dec 2010) | 3 lines Updated some test data for the unit tests. ........ 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. ........ 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(). ........ 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 . ........ 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 . ..... 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. ..... ........ Added: branches/bieri_gui/test_suite/shared_data/peak_lists/ccpn_analysis/ - copied from r11915, 1.3/test_suite/shared_data/peak_lists/ccpn_analysis/ branches/bieri_gui/test_suite/shared_data/results_files/pse_trunc.bz2 - copied unchanged from r11915, 1.3/test_suite/shared_data/results_files/pse_trunc.bz2 branches/bieri_gui/test_suite/system_tests/scripts/peak_lists/ - copied from r11915, 1.3/test_suite/system_tests/scripts/peak_lists/ Modified: branches/bieri_gui/ (props changed) branches/bieri_gui/generic_fns/relax_data.py branches/bieri_gui/generic_fns/spectrum.py branches/bieri_gui/generic_fns/structure/internal.py branches/bieri_gui/prompt/grace.py branches/bieri_gui/specific_fns/model_free/results.py branches/bieri_gui/test_suite/shared_data/saved_states/basic_single_pipe.bz2 branches/bieri_gui/test_suite/system_tests/model_free.py branches/bieri_gui/test_suite/system_tests/peak_lists.py [This mail would be too long, it was shortened to contain the URLs only.] Modified: branches/bieri_gui/generic_fns/relax_data.py URL: http://svn.gna.org/viewcvs/relax/branches/bieri_gui/generic_fns/relax_data.py?rev=11916&r1=11915&r2=11916&view=diff Modified: branches/bieri_gui/generic_fns/spectrum.py URL: http://svn.gna.org/viewcvs/relax/branches/bieri_gui/generic_fns/spectrum.py?rev=11916&r1=11915&r2=11916&view=diff Modified: branches/bieri_gui/generic_fns/structure/internal.py URL: http://svn.gna.org/viewcvs/relax/branches/bieri_gui/generic_fns/structure/internal.py?rev=11916&r1=11915&r2=11916&view=diff Modified: branches/bieri_gui/prompt/grace.py URL: http://svn.gna.org/viewcvs/relax/branches/bieri_gui/prompt/grace.py?rev=11916&r1=11915&r2=11916&view=diff Modified: branches/bieri_gui/specific_fns/model_free/results.py URL: http://svn.gna.org/viewcvs/relax/branches/bieri_gui/specific_fns/model_free/results.py?rev=11916&r1=11915&r2=11916&view=diff Modified: branches/bieri_gui/test_suite/shared_data/saved_states/basic_single_pipe.bz2 URL: http://svn.gna.org/viewcvs/relax/branches/bieri_gui/test_suite/shared_data/saved_states/basic_single_pipe.bz2?rev=11916&r1=11915&r2=11916&view=diff Modified: branches/bieri_gui/test_suite/system_tests/model_free.py URL: http://svn.gna.org/viewcvs/relax/branches/bieri_gui/test_suite/system_tests/model_free.py?rev=11916&r1=11915&r2=11916&view=diff Modified: branches/bieri_gui/test_suite/system_tests/peak_lists.py URL: http://svn.gna.org/viewcvs/relax/branches/bieri_gui/test_suite/system_tests/peak_lists.py?rev=11916&r1=11915&r2=11916&view=diff