r21803 - /trunk/specific_analyses/relax_disp/disp_data.py

2013-12-06 Thread edward
Author: bugman Date: Fri Dec 6 09:07:56 2013 New Revision: 21803 URL: http://svn.gna.org/viewcvs/relax?rev=21803view=rev Log: Neutralised the negative sign of the 15N gyromagnetic ratio in the return_offset_data() method. This is to match the behaviour of Dmitry Korzhnev's cpmg_fit software.

r21805 - /trunk/user_functions/spectrum.py

2013-12-06 Thread tlinnet
Author: tlinnet Date: Fri Dec 6 09:16:21 2013 New Revision: 21805 URL: http://svn.gna.org/viewcvs/relax?rev=21805view=rev Log: Added keyword dim to frontend function for spectrum.read_spins(). Work in progress for Support Request #3044, (https://gna.org/support/index.php?3044) - Load spins

r21809 - /trunk/pipe_control/spectrum.py

2013-12-06 Thread tlinnet
Author: tlinnet Date: Fri Dec 6 09:16:36 2013 New Revision: 21809 URL: http://svn.gna.org/viewcvs/relax?rev=21809view=rev Log: Insert check if spin already exist, before creating it. Work in progress for Support Request #3044, (https://gna.org/support/index.php?3044) - Load spins from SPARKY

r21807 - /trunk/lib/spectrum/nmrpipe.py

2013-12-06 Thread tlinnet
Author: tlinnet Date: Fri Dec 6 09:16:34 2013 New Revision: 21807 URL: http://svn.gna.org/viewcvs/relax?rev=21807view=rev Log: Extended reading of spin residue names from NMRPipe SeriesTab formatted file. Work in progress for Support Request #3044, (https://gna.org/support/index.php?3044) -

r21808 - /trunk/lib/spectrum/nmrpipe.py

2013-12-06 Thread tlinnet
Author: tlinnet Date: Fri Dec 6 09:16:35 2013 New Revision: 21808 URL: http://svn.gna.org/viewcvs/relax?rev=21808view=rev Log: Modified NMRPipe SeriesTab to read residue numbers and name for two-dimensional list. Work in progress for Support Request #3044,

r21813 - /trunk/test_suite/gui_tests/relax_disp.py

2013-12-06 Thread tlinnet
Author: tlinnet Date: Fri Dec 6 09:57:15 2013 New Revision: 21813 URL: http://svn.gna.org/viewcvs/relax?rev=21813view=rev Log: Removed name from docstring in GUI test. Work in progress for Support Request #3044, (https://gna.org/support/index.php?3044) - Load spins from SPARKY list. Modified:

r21811 - /trunk/lib/spectrum/sparky.py

2013-12-06 Thread tlinnet
Author: tlinnet Date: Fri Dec 6 09:57:13 2013 New Revision: 21811 URL: http://svn.gna.org/viewcvs/relax?rev=21811view=rev Log: Issuing a warning instead of error when loading spins from sparky list where residue names are not present. Work in progress for Support Request #3044,

r21814 - in /trunk: lib/spectrum/sparky.py test_suite/gui_tests/relax_disp.py user_functions/spectrum.py

2013-12-06 Thread tlinnet
Author: tlinnet Date: Fri Dec 6 09:57:17 2013 New Revision: 21814 URL: http://svn.gna.org/viewcvs/relax?rev=21814view=rev Log: Added name to Copyrights header of modified files. Work in progress for Support Request #3044, (https://gna.org/support/index.php?3044) - Load spins from SPARKY list.

r21815 - /trunk/pipe_control/spectrum.py

2013-12-06 Thread tlinnet
Author: tlinnet Date: Fri Dec 6 09:57:18 2013 New Revision: 21815 URL: http://svn.gna.org/viewcvs/relax?rev=21815view=rev Log: Changed to use return_spin for testing presence of spin. Work in progress for Support Request #3044, (https://gna.org/support/index.php?3044) - Load spins from SPARKY

r21812 - /trunk/lib/spectrum/nmrpipe.py

2013-12-06 Thread tlinnet
Author: tlinnet Date: Fri Dec 6 09:57:14 2013 New Revision: 21812 URL: http://svn.gna.org/viewcvs/relax?rev=21812view=rev Log: Issued a warning instead of error, when loadning spin residue names from a NMRPipe SeriesTab formatted file. Work in progress for Support Request #3044,

r21810 - /trunk/test_suite/gui_tests/relax_disp.py

2013-12-06 Thread tlinnet
Author: tlinnet Date: Fri Dec 6 09:57:11 2013 New Revision: 21810 URL: http://svn.gna.org/viewcvs/relax?rev=21810view=rev Log: Fix for proper spacing and comments in GUI test. Work in progress for Support Request #3044, (https://gna.org/support/index.php?3044) - Load spins from SPARKY list.

r21819 - /trunk/test_suite/system_tests/peak_lists.py

2013-12-06 Thread tlinnet
Author: tlinnet Date: Fri Dec 6 11:09:21 2013 New Revision: 21819 URL: http://svn.gna.org/viewcvs/relax?rev=21819view=rev Log: Implemented system test for reading spin ID's from NMRView formatted file. Work in progress for Support Request #3044, (https://gna.org/support/index.php?3044) - Load

r21820 - /trunk/lib/spectrum/nmrview.py

2013-12-06 Thread tlinnet
Author: tlinnet Date: Fri Dec 6 11:09:22 2013 New Revision: 21820 URL: http://svn.gna.org/viewcvs/relax?rev=21820view=rev Log: Made reading of NMRView formatted file return the residue number as integer instead of string. Work in progress for Support Request #3044,

r21818 - /trunk/lib/spectrum/sparky.py

2013-12-06 Thread tlinnet
Author: tlinnet Date: Fri Dec 6 11:09:19 2013 New Revision: 21818 URL: http://svn.gna.org/viewcvs/relax?rev=21818view=rev Log: Fix for issuing a warning when reading spins from a sparky formatted file. Work in progress for Support Request #3044, (https://gna.org/support/index.php?3044) - Load

r21817 - /trunk/lib/spectrum/nmrpipe.py

2013-12-06 Thread tlinnet
Author: tlinnet Date: Fri Dec 6 11:09:17 2013 New Revision: 21817 URL: http://svn.gna.org/viewcvs/relax?rev=21817view=rev Log: Fix for issuing a warning in reading spins from a NMRPipe SeriesTab formatted file. Work in progress for Support Request #3044,

r21816 - /trunk/test_suite/system_tests/peak_lists.py

2013-12-06 Thread tlinnet
Author: tlinnet Date: Fri Dec 6 11:09:16 2013 New Revision: 21816 URL: http://svn.gna.org/viewcvs/relax?rev=21816view=rev Log: Implemented another system test for reading NMRPipe SeriesTab files. Work in progress for Support Request #3044, (https://gna.org/support/index.php?3044) - Load spins

r21821 - in /trunk/lib/spectrum: nmrpipe.py sparky.py

2013-12-06 Thread tlinnet
Author: tlinnet Date: Fri Dec 6 11:26:35 2013 New Revision: 21821 URL: http://svn.gna.org/viewcvs/relax?rev=21821view=rev Log: Fix for calling the warn() function. Work in progress for Support Request #3044, (https://gna.org/support/index.php?3044) - Load spins from SPARKY list. Modified:

r21822 - /trunk/lib/spectrum/nmrview.py

2013-12-06 Thread tlinnet
Author: tlinnet Date: Fri Dec 6 11:31:10 2013 New Revision: 21822 URL: http://svn.gna.org/viewcvs/relax?rev=21822view=rev Log: Extended the error description for reading NMRView files. Work in progress for Support Request #3044, (https://gna.org/support/index.php?3044) - Load spins from SPARKY

r21823 - /trunk/lib/spectrum/nmrview.py

2013-12-06 Thread tlinnet
Author: tlinnet Date: Fri Dec 6 11:32:27 2013 New Revision: 21823 URL: http://svn.gna.org/viewcvs/relax?rev=21823view=rev Log: Fix for print statement. Work in progress for Support Request #3044, (https://gna.org/support/index.php?3044) - Load spins from SPARKY list. Modified:

r21824 - /trunk/test_suite/system_tests/peak_lists.py

2013-12-06 Thread tlinnet
Author: tlinnet Date: Fri Dec 6 12:09:54 2013 New Revision: 21824 URL: http://svn.gna.org/viewcvs/relax?rev=21824view=rev Log: Implemented system test for reading spins from a NMRPipe SeriesTab formatted file, where the assignments for second dimension is missing. This will be a typically

r21825 - /trunk/lib/spectrum/nmrpipe.py

2013-12-06 Thread tlinnet
Author: tlinnet Date: Fri Dec 6 12:09:56 2013 New Revision: 21825 URL: http://svn.gna.org/viewcvs/relax?rev=21825view=rev Log: Fixed for reading spins from a NMRPipe SeriesTab formatted file, where dimension 2 misses residue number and residue name. Work in progress for Support Request #3044,

r21826 - /trunk/lib/spectrum/nmrpipe.py

2013-12-06 Thread tlinnet
Author: tlinnet Date: Fri Dec 6 12:12:43 2013 New Revision: 21826 URL: http://svn.gna.org/viewcvs/relax?rev=21826view=rev Log: Expanded the warning message for a systemtest. Work in progress for Support Request #3044, (https://gna.org/support/index.php?3044) - Load spins from SPARKY list.

r21828 - /trunk/lib/spectrum/nmrpipe.py

2013-12-06 Thread tlinnet
Author: tlinnet Date: Fri Dec 6 13:20:23 2013 New Revision: 21828 URL: http://svn.gna.org/viewcvs/relax?rev=21828view=rev Log: If dimension 2 in a SeriesTab formatted file does not contain residue number+name, it defaults to the dimension 1. Work in progress for Support Request #3044,

r21827 - /trunk/test_suite/system_tests/peak_lists.py

2013-12-06 Thread tlinnet
Author: tlinnet Date: Fri Dec 6 13:20:22 2013 New Revision: 21827 URL: http://svn.gna.org/viewcvs/relax?rev=21827view=rev Log: Modified system test for reading an assignment, where the second dimension is missing. Work in progress for Support Request #3044,

r21830 - /trunk/lib/spectrum/xeasy.py

2013-12-06 Thread tlinnet
Author: tlinnet Date: Fri Dec 6 13:23:30 2013 New Revision: 21830 URL: http://svn.gna.org/viewcvs/relax?rev=21830view=rev Log: Modified xeasy reading function to pass residue names back. Work in progress for Support Request #3044, (https://gna.org/support/index.php?3044) - Load spins from

r21829 - /trunk/test_suite/system_tests/peak_lists.py

2013-12-06 Thread tlinnet
Author: tlinnet Date: Fri Dec 6 13:23:29 2013 New Revision: 21829 URL: http://svn.gna.org/viewcvs/relax?rev=21829view=rev Log: Implemented system test for reading spins from an xeasy file. Work in progress for Support Request #3044, (https://gna.org/support/index.php?3044) - Load spins from

r21831 - /trunk/test_suite/shared_data/peak_lists/sparky2dim.list

2013-12-06 Thread tlinnet
Author: tlinnet Date: Fri Dec 6 14:08:34 2013 New Revision: 21831 URL: http://svn.gna.org/viewcvs/relax?rev=21831view=rev Log: Copyied SeriesTab file for implementation of double assignment in sparky files. Added: trunk/test_suite/shared_data/peak_lists/sparky2dim.list - copied

r21832 - in /trunk: specific_analyses/relax_disp/ target_functions/

2013-12-06 Thread edward
Author: bugman Date: Fri Dec 6 14:52:31 2013 New Revision: 21832 URL: http://svn.gna.org/viewcvs/relax?rev=21832view=rev Log: Redesign of the CPMG frequency and spin-lock field strength data structures. These now have an extra dimension for the offset so that the values are now experiment,

r21833 - /trunk/specific_analyses/relax_disp/disp_data.py

2013-12-06 Thread edward
Author: bugman Date: Fri Dec 6 15:03:48 2013 New Revision: 21833 URL: http://svn.gna.org/viewcvs/relax?rev=21833view=rev Log: Fix for a bug introduced in the last commit (r21832). Modified: trunk/specific_analyses/relax_disp/disp_data.py Modified:

r21834 - /trunk/specific_analyses/relax_disp/disp_data.py

2013-12-06 Thread edward
Author: bugman Date: Fri Dec 6 15:06:18 2013 New Revision: 21834 URL: http://svn.gna.org/viewcvs/relax?rev=21834view=rev Log: Reverted r21803 as this change was rubbish. The command used was: svn merge -r21803:r21802 . . r21803 | bugman | 2013-12-06 09:07:56 +0100 (Fri, 06 Dec 2013) | 5

r21835 - /trunk/specific_analyses/relax_disp/disp_data.py

2013-12-06 Thread edward
Author: bugman Date: Fri Dec 6 15:09:48 2013 New Revision: 21835 URL: http://svn.gna.org/viewcvs/relax?rev=21835view=rev Log: Improved the printout of the relax_disp.r2eff_read_spin user function for the R2eff keys. Modified: trunk/specific_analyses/relax_disp/disp_data.py Modified:

r21837 - /trunk/test_suite/shared_data/peak_lists/sparky2dim.list

2013-12-06 Thread tlinnet
Author: tlinnet Date: Fri Dec 6 15:35:07 2013 New Revision: 21837 URL: http://svn.gna.org/viewcvs/relax?rev=21837view=rev Log: Modified sparky peak list for two dimensional assignment example. This will typically be the export from CcpNmr Analysis. Work in progress for Support Request #3044,

r21839 - /trunk/lib/spectrum/sparky.py

2013-12-06 Thread tlinnet
Author: tlinnet Date: Fri Dec 6 15:35:10 2013 New Revision: 21839 URL: http://svn.gna.org/viewcvs/relax?rev=21839view=rev Log: Extended reading of spins from sparky files for up to two dimensional assignments. Work in progress for Support Request #3044,

r21838 - /trunk/test_suite/system_tests/peak_lists.py

2013-12-06 Thread tlinnet
Author: tlinnet Date: Fri Dec 6 15:35:08 2013 New Revision: 21838 URL: http://svn.gna.org/viewcvs/relax?rev=21838view=rev Log: Implemented system test for using double assignments in sparky formatted files. Work in progress for Support Request #3044, (https://gna.org/support/index.php?3044) -

r21836 - /trunk/test_suite/system_tests/peak_lists.py

2013-12-06 Thread tlinnet
Author: tlinnet Date: Fri Dec 6 15:35:06 2013 New Revision: 21836 URL: http://svn.gna.org/viewcvs/relax?rev=21836view=rev Log: Extended system test for reading spins from SPARKY files with empty residue name+number second dimension assignment. Work in progress for Support Request #3044,

r21841 - /trunk/test_suite/system_tests/peak_lists.py

2013-12-06 Thread tlinnet
Author: tlinnet Date: Fri Dec 6 16:46:38 2013 New Revision: 21841 URL: http://svn.gna.org/viewcvs/relax?rev=21841view=rev Log: Added system test for reading CcpNmr Analysis exported sparky file Work in progress for Support Request #3044, (https://gna.org/support/index.php?3044) - Load spins

r21842 - /trunk/lib/spectrum/sparky.py

2013-12-06 Thread tlinnet
Author: tlinnet Date: Fri Dec 6 16:46:39 2013 New Revision: 21842 URL: http://svn.gna.org/viewcvs/relax?rev=21842view=rev Log: Modified reading of sparky files, when exported from CcpNmr Analysis. The keyword 'Data' is not present here. Work in progress for Support Request #3044,

r21840 - /trunk/test_suite/shared_data/peak_lists/peak_list_ccpnmr_analysis.list

2013-12-06 Thread tlinnet
Author: tlinnet Date: Fri Dec 6 16:46:37 2013 New Revision: 21840 URL: http://svn.gna.org/viewcvs/relax?rev=21840view=rev Log: Added example of CcpNmr analysis exported Sparky file. Work in progress for Support Request #3044, (https://gna.org/support/index.php?3044) - Load spins from SPARKY

r21845 - /trunk/test_suite/system_tests/peak_lists.py

2013-12-06 Thread tlinnet
Author: tlinnet Date: Fri Dec 6 18:11:32 2013 New Revision: 21845 URL: http://svn.gna.org/viewcvs/relax?rev=21845view=rev Log: Added another systemtest for returning spins from a generic file. Work in progress for Support Request #3044, (https://gna.org/support/index.php?3044) - Load spins

r21844 - /trunk/lib/spectrum/peak_list.py

2013-12-06 Thread tlinnet
Author: tlinnet Date: Fri Dec 6 18:11:30 2013 New Revision: 21844 URL: http://svn.gna.org/viewcvs/relax?rev=21844view=rev Log: Modified the generic list to also return spin information when intensity is not present. Work in progress for Support Request #3044,

r21843 - /trunk/test_suite/system_tests/peak_lists.py

2013-12-06 Thread tlinnet
Author: tlinnet Date: Fri Dec 6 18:11:29 2013 New Revision: 21843 URL: http://svn.gna.org/viewcvs/relax?rev=21843view=rev Log: Added system for using generic file for reading spins. Work in progress for Support Request #3044, (https://gna.org/support/index.php?3044) - Load spins from SPARKY

r21846 - /trunk/test_suite/shared_data/dispersion/Hansen/generate_r2eff_files.py

2013-12-06 Thread edward
Author: bugman Date: Fri Dec 6 18:23:38 2013 New Revision: 21846 URL: http://svn.gna.org/viewcvs/relax?rev=21846view=rev Log: Fix for a script in the test suite shared data for the recent relaxation dispersion changes. Modified:

r21847 - in /trunk/test_suite/shared_data/dispersion/Hansen: ./ r2eff_data/

2013-12-06 Thread edward
Author: bugman Date: Fri Dec 6 18:46:11 2013 New Revision: 21847 URL: http://svn.gna.org/viewcvs/relax?rev=21847view=rev Log: Added residue 4 to the R2eff files for the truncated CPMG data from Flemming Hansen. Modified:

r21848 - in /trunk/test_suite/shared_data/dispersion/Hansen: ./ cpmg_fit_results/

2013-12-06 Thread edward
Author: bugman Date: Fri Dec 6 19:11:30 2013 New Revision: 21848 URL: http://svn.gna.org/viewcvs/relax?rev=21848view=rev Log: Added cpmg_fit results to the software comparison table for Flemming Hansen's CPMG data. The cpmg_fit input and log files have been added as well. Added:

r21849 - in /trunk/test_suite/shared_data/dispersion: Hansen/software_comparison software_comparison

2013-12-06 Thread edward
Author: bugman Date: Fri Dec 6 19:15:20 2013 New Revision: 21849 URL: http://svn.gna.org/viewcvs/relax?rev=21849view=rev Log: Shifted the software comparison down a directory so it can be used for all the different data. Added: trunk/test_suite/shared_data/dispersion/software_comparison

r21852 - /trunk/test_suite/system_tests/chemical_shift.py

2013-12-06 Thread tlinnet
Author: tlinnet Date: Fri Dec 6 19:24:03 2013 New Revision: 21852 URL: http://svn.gna.org/viewcvs/relax?rev=21852view=rev Log: Additional chemical shift reading test for SeriesTab formatted file. Work in progress for Support Request #3044, (https://gna.org/support/index.php?3044) - Load spins

r21850 - /trunk/test_suite/system_tests/chemical_shift.py

2013-12-06 Thread tlinnet
Author: tlinnet Date: Fri Dec 6 19:23:58 2013 New Revision: 21850 URL: http://svn.gna.org/viewcvs/relax?rev=21850view=rev Log: Added system test for reading chemical shift from NMRPipe SeriesTab file. Work in progress for Support Request #3044, (https://gna.org/support/index.php?3044) - Load

r21851 - /trunk/lib/spectrum/nmrpipe.py

2013-12-06 Thread tlinnet
Author: tlinnet Date: Fri Dec 6 19:24:02 2013 New Revision: 21851 URL: http://svn.gna.org/viewcvs/relax?rev=21851view=rev Log: Implemented reading of chemical shifts from NMRPipe SeriesTab formatted files. Work in progress for Support Request #3044, (https://gna.org/support/index.php?3044) -