r21206 - in /branches/relax_disp/test_suite/shared_data/dispersion/Kjaergaard_et_al_2013: ./ peak_lists/

2013-10-21 Thread tlinnet
Author: tlinnet Date: Mon Oct 21 19:56:20 2013 New Revision: 21206 URL: http://svn.gna.org/viewcvs/relax?rev=21206view=rev Log: Added test data where both the spin-lock time, the spin lock offset and the spin lock field is varied. The data is published in: A Folded Excited State of Ligand-Free

r21210 - /branches/relax_disp/test_suite/shared_data/dispersion/Kjaergaard_et_al_2013/

2013-10-22 Thread tlinnet
Author: tlinnet Date: Tue Oct 22 13:09:22 2013 New Revision: 21210 URL: http://svn.gna.org/viewcvs/relax?rev=21210view=rev Log: Modified settings script for R1rho test dataset. Modified: branches/relax_disp/test_suite/shared_data/dispersion/Kjaergaard_et_al_2013/NOTES.txt branches

r21217 - /branches/relax_disp/test_suite/shared_data/dispersion/Kjaergaard_et_al_2013/

2013-10-22 Thread tlinnet
Author: tlinnet Date: Tue Oct 22 20:08:52 2013 New Revision: 21217 URL: http://svn.gna.org/viewcvs/relax?rev=21217view=rev Log: Correcting the R1rho settings script for the right calculation of the spin-lock offset, omega_rf, in ppm when offset values are provided in Hz. Modified

r21746 - /trunk/test_suite/system_tests/relax_disp.py

2013-12-03 Thread tlinnet
Author: tlinnet Date: Tue Dec 3 16:57:35 2013 New Revision: 21746 URL: http://svn.gna.org/viewcvs/relax?rev=21746view=rev Log: Fix for Optimisation of Dr. Flemming Hansen's CPMG data to the 'NS CPMG 2-site star' dispersion model. Fix for bug #21322, (https://gna.org/bugs/?21322) - 5x Test

r21747 - /trunk/test_suite/system_tests/relax_disp.py

2013-12-03 Thread tlinnet
Author: tlinnet Date: Tue Dec 3 16:58:33 2013 New Revision: 21747 URL: http://svn.gna.org/viewcvs/relax?rev=21747view=rev Log: Fix for Optimisation of the Korzhnev et al., 2005 15N DQ CPMG data using the 'MMQ 2-site' model. Fix for bug #21322, (https://gna.org/bugs/?21322) - 5x Test suite fail

r21748 - /trunk/test_suite/system_tests/relax_disp.py

2013-12-03 Thread tlinnet
Author: tlinnet Date: Tue Dec 3 16:59:37 2013 New Revision: 21748 URL: http://svn.gna.org/viewcvs/relax?rev=21748view=rev Log: Fix for Optimisation of the Korzhnev et al., 2005 15N MQ CPMG data using the 'MMQ 2-site' model. Fix for bug #21322, (https://gna.org/bugs/?21322) - 5x Test suite fail

r21749 - /trunk/test_suite/system_tests/relax_disp.py

2013-12-03 Thread tlinnet
Author: tlinnet Date: Tue Dec 3 17:00:43 2013 New Revision: 21749 URL: http://svn.gna.org/viewcvs/relax?rev=21749view=rev Log: Fix for Optimisation of the Korzhnev et al., 2005 15N ZQ CPMG data using the 'MMQ 2-site' model. Fix for bug #21322, (https://gna.org/bugs/?21322) - 5x Test suite fail

r21752 - /trunk/test_suite/system_tests/relax_disp.py

2013-12-03 Thread tlinnet
Author: tlinnet Date: Tue Dec 3 17:19:16 2013 New Revision: 21752 URL: http://svn.gna.org/viewcvs/relax?rev=21752view=rev Log: Fix for Optimisation of Dr. Flemming Hansen's CPMG data to the 'NS CPMG 2-site star' dispersion model. Changed so assertAlmostEqual matches 2 digits. Fix for bug

r21788 - /trunk/gui/wizards/peak_intensity.py

2013-12-05 Thread tlinnet
Author: tlinnet Date: Thu Dec 5 12:28:06 2013 New Revision: 21788 URL: http://svn.gna.org/viewcvs/relax?rev=21788view=rev Log: Fix for loading a seriesTab formatted intensity, and getting the ID for the following GUI elements. Fix for bug #21076, (https://gna.org/bugs/?21076) - When loading

r21789 - /trunk/test_suite/gui_tests/relax_disp.py

2013-12-05 Thread tlinnet
Author: tlinnet Date: Thu Dec 5 14:10:55 2013 New Revision: 21789 URL: http://svn.gna.org/viewcvs/relax?rev=21789view=rev Log: Implemented GUI test, which caches the bug. Fix for bug #21076, (https://gna.org/bugs/?21076) - When loading a multi-spectra NMRPipe seriesTab file through the GUI

r21794 - /trunk/test_suite/system_tests/sequence.py

2013-12-05 Thread tlinnet
Author: tlinnet Date: Thu Dec 5 17:24:16 2013 New Revision: 21794 URL: http://svn.gna.org/viewcvs/relax?rev=21794view=rev Log: System test for sequence read expanded to include assertions of correct data. Work in progress for Support Request #3044, (https://gna.org/support/index.php?3044

r21801 - /trunk/test_suite/system_tests/peak_lists.py

2013-12-05 Thread tlinnet
Author: tlinnet Date: Thu Dec 5 22:48:18 2013 New Revision: 21801 URL: http://svn.gna.org/viewcvs/relax?rev=21801view=rev Log: Expanded system test and made it pass for user function spectrum.read_spins. Work in progress for Support Request #3044, (https://gna.org/support/index.php?3044

r21800 - /trunk/lib/spectrum/sparky.py

2013-12-05 Thread tlinnet
Author: tlinnet Date: Thu Dec 5 22:48:16 2013 New Revision: 21800 URL: http://svn.gna.org/viewcvs/relax?rev=21800view=rev Log: Extended reading of sparky files, to include residue names. Work in progress for Support Request #3044, (https://gna.org/support/index.php?3044) - Load spins from

r21798 - /trunk/pipe_control/spectrum.py

2013-12-05 Thread tlinnet
Author: tlinnet Date: Thu Dec 5 22:48:13 2013 New Revision: 21798 URL: http://svn.gna.org/viewcvs/relax?rev=21798view=rev Log: Created the back end function for the read_spins function. Work in progress for Support Request #3044, (https://gna.org/support/index.php?3044) - Load spins from

r21797 - /trunk/user_functions/spectrum.py

2013-12-05 Thread tlinnet
Author: tlinnet Date: Thu Dec 5 22:48:11 2013 New Revision: 21797 URL: http://svn.gna.org/viewcvs/relax?rev=21797view=rev Log: Added interpreter.spectrum.read_spins function. Work in progress for Support Request #3044, (https://gna.org/support/index.php?3044) - Load spins from SPARKY list

r21796 - /trunk/test_suite/system_tests/peak_lists.py

2013-12-05 Thread tlinnet
Author: tlinnet Date: Thu Dec 5 22:48:10 2013 New Revision: 21796 URL: http://svn.gna.org/viewcvs/relax?rev=21796view=rev Log: Added systemtest for reading spins from a sparky list. Work in progress for Support Request #3044, (https://gna.org/support/index.php?3044) - Load spins from SPARKY

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, (https://gna.org/support/index.php

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, (https

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, (https

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, (https://gna.org/support

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, (https://gna.org/support/index.php

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: trunk/lib

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, (https

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, (https://gna.org/support/index.php

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

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, (https://gna.org/support/index.php?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, (https

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, (https://gna.org/support

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

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

r21871 - /trunk/test_suite/system_tests/n_state_model.py

2013-12-08 Thread tlinnet
Author: tlinnet Date: Sun Dec 8 20:16:48 2013 New Revision: 21871 URL: http://svn.gna.org/viewcvs/relax?rev=21871view=rev Log: Made systemtest test pass on Mac OS 10.9 Modified: trunk/test_suite/system_tests/n_state_model.py Modified: trunk/test_suite/system_tests/n_state_model.py URL

r21892 - /trunk/test_suite/gui_tests/relax_disp.py

2013-12-09 Thread tlinnet
Author: tlinnet Date: Mon Dec 9 11:50:20 2013 New Revision: 21892 URL: http://svn.gna.org/viewcvs/relax?rev=21892view=rev Log: Added GUI test for reading spins from a spectrum formatted file. Work in progress for Support Request #3044, (https://gna.org/support/index.php?3044) - Load spins from

r21893 - /trunk/gui/spin_viewer/frame.py

2013-12-09 Thread tlinnet
Author: tlinnet Date: Mon Dec 9 11:50:33 2013 New Revision: 21893 URL: http://svn.gna.org/viewcvs/relax?rev=21893view=rev Log: Added GUI key 'new spectrum' to point to 'spectrum.read_spins'. Work in progress for Support Request #3044, (https://gna.org/support/index.php?3044) - Load spins from

r21896 - /trunk/test_suite/gui_tests/relax_disp.py

2013-12-09 Thread tlinnet
Author: tlinnet Date: Mon Dec 9 11:50:36 2013 New Revision: 21896 URL: http://svn.gna.org/viewcvs/relax?rev=21896view=rev Log: Further added to the GUI test for reading spins from spectrum formatted file. Work in progress for Support Request #3044, (https://gna.org/support/index.php?3044

r21894 - /trunk/gui/spin_viewer/frame.py

2013-12-09 Thread tlinnet
Author: tlinnet Date: Mon Dec 9 11:50:34 2013 New Revision: 21894 URL: http://svn.gna.org/viewcvs/relax?rev=21894view=rev Log: Added spectrum.read_spins GUI page for reading spins from a spectrum formatted file. Work in progress for Support Request #3044, (https://gna.org/support/index.php

r21895 - /trunk/gui/spin_viewer/frame.py

2013-12-09 Thread tlinnet
Author: tlinnet Date: Mon Dec 9 11:50:35 2013 New Revision: 21895 URL: http://svn.gna.org/viewcvs/relax?rev=21895view=rev Log: Added radio button for reading spins from a spectrum formatted file. Work in progress for Support Request #3044, (https://gna.org/support/index.php?3044) - Load spins

r21900 - /trunk/gui/spin_viewer/frame.py

2013-12-09 Thread tlinnet
Author: tlinnet Date: Mon Dec 9 13:18:03 2013 New Revision: 21900 URL: http://svn.gna.org/viewcvs/relax?rev=21900view=rev Log: Fix for GUI text string for the select radio button, reading spins from a spectrum formatted file. Work in progress for Support Request #3044, (https://gna.org

r21920 - /trunk/test_suite/system_tests/relax_disp.py

2013-12-09 Thread tlinnet
Author: tlinnet Date: Mon Dec 9 17:49:49 2013 New Revision: 21920 URL: http://svn.gna.org/viewcvs/relax?rev=21920view=rev Log: Added system test for the analysis of optimisation of the Kjaergaard et al., 2013 Off-resonance R1rho relaxation dispersion experiments using the 'DPL' model. Work

r21919 - in /trunk/test_suite/shared_data/dispersion/Kjaergaard_et_al_2013: exp_parameters.txt exp_parameters_sort.txt

2013-12-09 Thread tlinnet
Author: tlinnet Date: Mon Dec 9 17:49:35 2013 New Revision: 21919 URL: http://svn.gna.org/viewcvs/relax?rev=21919view=rev Log: Added the RMSD determined via showApod for the 69 experiments. Work in progress for Support Request #3083, (https://gna.org/support/index.php?3083) - Addition of Data

r21921 - /trunk/test_suite/shared_data/dispersion/Kjaergaard_et_al_2013/

2013-12-09 Thread tlinnet
Author: tlinnet Date: Mon Dec 9 17:49:50 2013 New Revision: 21921 URL: http://svn.gna.org/viewcvs/relax?rev=21921view=rev Log: Modified analysis script for example data of R1rho. Work in progress for Support Request #3083, (https://gna.org/support/index.php?3083) - Addition of Data-set

r21924 - /trunk/test_suite/system_tests/relax_disp.py

2013-12-10 Thread tlinnet
Author: tlinnet Date: Tue Dec 10 09:51:04 2013 New Revision: 21924 URL: http://svn.gna.org/viewcvs/relax?rev=21924view=rev Log: Fix for wrong use of relax_fit.relax_time instead of relax_disp.relax_time. Work in progress for Support Request #3044, (https://gna.org/support/index.php?3044) - Load

r21926 - /trunk/test_suite/system_tests/relax_disp.py

2013-12-10 Thread tlinnet
Author: tlinnet Date: Tue Dec 10 10:36:23 2013 New Revision: 21926 URL: http://svn.gna.org/viewcvs/relax?rev=21926view=rev Log: System test turned off until release is over. Work in progress for Support Request #3044, (https://gna.org/support/index.php?3044) - Load spins from SPARKY list

r21946 - /trunk/test_suite/shared_data/peak_lists/sparky_wo_int.list

2013-12-11 Thread tlinnet
Author: tlinnet Date: Wed Dec 11 11:09:49 2013 New Revision: 21946 URL: http://svn.gna.org/viewcvs/relax?rev=21946view=rev Log: Copied sparky list to be modified for sparky file without intensity column. Added: trunk/test_suite/shared_data/peak_lists/sparky_wo_int.list - copied

r21947 - /trunk/test_suite/shared_data/peak_lists/sparky_wo_int.list

2013-12-11 Thread tlinnet
Author: tlinnet Date: Wed Dec 11 11:12:07 2013 New Revision: 21947 URL: http://svn.gna.org/viewcvs/relax?rev=21947view=rev Log: Modified sparky file to have no columns with intensity. Modified: trunk/test_suite/shared_data/peak_lists/sparky_wo_int.list Modified: trunk/test_suite/shared_data

r21949 - in /trunk: lib/spectrum/sparky.py test_suite/system_tests/peak_lists.py

2013-12-12 Thread tlinnet
Author: tlinnet Date: Thu Dec 12 11:02:00 2013 New Revision: 21949 URL: http://svn.gna.org/viewcvs/relax?rev=21949view=rev Log: Implemented to read spins from a SPARKY list, when no intensity column is present. Addition to Support Request #3044, (https://gna.org/support/index.php?3044) - Load

r22181 - in /trunk: lib/errors.py lib/warnings.py relax.py status.py

2014-02-14 Thread tlinnet
Author: tlinnet Date: Fri Feb 14 10:32:15 2014 New Revision: 22181 URL: http://svn.gna.org/viewcvs/relax?rev=22181view=rev Log: Shifted the pedantic flag to escalate flag. The option -p would insted be used for the option --prompt. Fix for sr #3117, (https://gna.org/support/?3117

r22182 - in /trunk: relax.py status.py

2014-02-14 Thread tlinnet
Author: tlinnet Date: Fri Feb 14 10:32:17 2014 New Revision: 22182 URL: http://svn.gna.org/viewcvs/relax?rev=22182view=rev Log: Added the -p --prompt option for running a relax script and inspect interactively. Fix for sr #3117, (https://gna.org/support/?3117) - Functionality to inspect

r22183 - /trunk/prompt/interpreter.py

2014-02-14 Thread tlinnet
Author: tlinnet Date: Fri Feb 14 11:22:56 2014 New Revision: 22183 URL: http://svn.gna.org/viewcvs/relax?rev=22183view=rev Log: Second Modified: trunk/prompt/interpreter.py Modified: trunk/prompt/interpreter.py URL: http://svn.gna.org/viewcvs/relax/trunk/prompt/interpreter.py?rev=22183r1

r22184 - in /trunk: prompt/interpreter.py relax.py

2014-02-14 Thread tlinnet
Author: tlinnet Date: Fri Feb 14 11:22:57 2014 New Revision: 22184 URL: http://svn.gna.org/viewcvs/relax?rev=22184view=rev Log: Modified the help text to explain that -p will launch relax in prompt mode after running any optionally supplied scripts. Fix for sr #3117, (https://gna.org/support

r22185 - in /trunk: prompt/interpreter.py relax.py

2014-02-14 Thread tlinnet
Author: tlinnet Date: Fri Feb 14 11:47:33 2014 New Revision: 22185 URL: http://svn.gna.org/viewcvs/relax?rev=22185view=rev Log: Manually reverted the temporary change of r22184 and 22183. The command used was: svn merge -r22184:r22182 . . r22184 | tlinnet | 2014-02-14 11:22:57 +0100 (Fri

r22186 - /trunk/relax.py

2014-02-14 Thread tlinnet
Author: tlinnet Date: Fri Feb 14 11:54:44 2014 New Revision: 22186 URL: http://svn.gna.org/viewcvs/relax?rev=22186view=rev Log: Modified the help text to explain that -p will launch relax in prompt mode after running any optionally supplied scripts. Fix for sr #3117, (https://gna.org/support

r22187 - /trunk/prompt/interpreter.py

2014-02-14 Thread tlinnet
Author: tlinnet Date: Fri Feb 14 12:13:05 2014 New Revision: 22187 URL: http://svn.gna.org/viewcvs/relax?rev=22187view=rev Log: Finished implementing the functionality of interacting with variables after executing a script. Fix for sr #3117, (https://gna.org/support/?3117) - Functionality

r22188 - /trunk/prompt/interpreter.py

2014-02-14 Thread tlinnet
Author: tlinnet Date: Fri Feb 14 12:28:25 2014 New Revision: 22188 URL: http://svn.gna.org/viewcvs/relax?rev=22188view=rev Log: Added Copyright info to modified file. Fix for sr #3117, (https://gna.org/support/?3117) - Functionality to inspect interactively after running script

r22191 - /trunk/prompt/interpreter.py

2014-02-14 Thread tlinnet
Author: tlinnet Date: Fri Feb 14 15:19:58 2014 New Revision: 22191 URL: http://svn.gna.org/viewcvs/relax?rev=22191view=rev Log: Fix for the user function intro flag. Fix for sr #3117, (https://gna.org/support/?3117) - Functionality to inspect interactively after running script - The equivalence

r22197 - /trunk/test_suite/shared_data/dispersion/bug_21665.bz2

2014-02-18 Thread tlinnet
Author: tlinnet Date: Tue Feb 18 12:05:54 2014 New Revision: 22197 URL: http://svn.gna.org/viewcvs/relax?rev=22197view=rev Log: Save state added for bug #21665. Regarding bug #21665, (https://gna.org/bugs/?21665) - Running a CPMG analysis with two fields at two delay times. Added: trunk

r22198 - /trunk/test_suite/system_tests/relax_disp.py

2014-02-18 Thread tlinnet
Author: tlinnet Date: Tue Feb 18 12:19:41 2014 New Revision: 22198 URL: http://svn.gna.org/viewcvs/relax?rev=22198view=rev Log: Added systemtest to catch bug: relax -s Relax_disp.test_bug_21665_cpmg_two_fields_two_delaytimes_fail Regarding bug #21665, (https://gna.org/bugs/?21665) - Running

r22199 - /trunk/test_suite/system_tests/relax_disp.py

2014-02-18 Thread tlinnet
Author: tlinnet Date: Tue Feb 18 15:26:45 2014 New Revision: 22199 URL: http://svn.gna.org/viewcvs/relax?rev=22199view=rev Log: Added a systemtest for using both calc() and a systemtest for relax_disp auto analysis. Regarding bug #21665, (https://gna.org/bugs/?21665) - Running a CPMG analysis

r22214 - /trunk/test_suite/unit_tests/_specific_analyses/_relax_disp/test_disp_data.py

2014-02-19 Thread tlinnet
Author: tlinnet Date: Wed Feb 19 17:23:35 2014 New Revision: 22214 URL: http://svn.gna.org/viewcvs/relax?rev=22214view=rev Log: Implemented unit test for catching the correct return of loop_exp_frq_offset_point_time. Regarding bug #21665, (https://gna.org/bugs/?21665) - Running a CPMG analysis

r22220 - /trunk/specific_analyses/relax_disp/disp_data.py

2014-02-20 Thread tlinnet
Author: tlinnet Date: Thu Feb 20 18:15:43 2014 New Revision: 0 URL: http://svn.gna.org/viewcvs/relax?rev=0view=rev Log: Added the The relaxation time period to be used when returning cpmg frqs. Regarding bug #21665, (https://gna.org/bugs/?21665) - Running a CPMG analysis with two fields

r22221 - /trunk/specific_analyses/relax_disp/disp_data.py

2014-02-20 Thread tlinnet
Author: tlinnet Date: Thu Feb 20 18:16:39 2014 New Revision: 1 URL: http://svn.gna.org/viewcvs/relax?rev=1view=rev Log: Added test for skipping non-matching time points. Regarding bug #21665, (https://gna.org/bugs/?21665) - Running a CPMG analysis with two fields at two delay times

r22224 - /trunk/test_suite/unit_tests/_specific_analyses/_relax_disp/test_disp_data.py

2014-02-20 Thread tlinnet
Author: tlinnet Date: Thu Feb 20 18:17:11 2014 New Revision: 4 URL: http://svn.gna.org/viewcvs/relax?rev=4view=rev Log: Improved unit test for cathing both time and dispersion point when looping over experiment and time points. Regarding bug #21665, (https://gna.org/bugs/?21665

r22222 - /trunk/specific_analyses/relax_disp/disp_data.py

2014-02-20 Thread tlinnet
Author: tlinnet Date: Thu Feb 20 18:16:51 2014 New Revision: 2 URL: http://svn.gna.org/viewcvs/relax?rev=2view=rev Log: Switched the looping over time points and dispersion points. Regarding bug #21665, (https://gna.org/bugs/?21665) - Running a CPMG analysis with two fields at two delay

r22256 - /trunk/specific_analyses/relax_disp/disp_data.py

2014-02-24 Thread tlinnet
Author: tlinnet Date: Mon Feb 24 09:13:39 2014 New Revision: 22256 URL: http://svn.gna.org/viewcvs/relax?rev=22256view=rev Log: Reverted the ordering of dispersion point and relaxation time. Regarding bug #21665, (https://gna.org/bugs/?21665) - Running a CPMG analysis with two fields at two

r22269 - /trunk/test_suite/unit_tests/_specific_analyses/_relax_disp/test_disp_data.py

2014-02-24 Thread tlinnet
Author: tlinnet Date: Mon Feb 24 10:59:16 2014 New Revision: 22269 URL: http://svn.gna.org/viewcvs/relax?rev=22269view=rev Log: Merge branch 'bug' Modified: trunk/test_suite/unit_tests/_specific_analyses/_relax_disp/test_disp_data.py Modified: trunk/test_suite/unit_tests/_specific_analyses

r22279 - /trunk/test_suite/unit_tests/_specific_analyses/_relax_disp/test_disp_data.py

2014-02-24 Thread tlinnet
Author: tlinnet Date: Mon Feb 24 13:59:49 2014 New Revision: 22279 URL: http://svn.gna.org/viewcvs/relax?rev=22279view=rev Log: Renamed unit test, to follow previous namings of unit tests. Regarding bug #21665, (https://gna.org/bugs/?21665) - Running a CPMG analysis with two fields at two delay

r22283 - /trunk/test_suite/unit_tests/_specific_analyses/_relax_disp/test_disp_data.py

2014-02-24 Thread tlinnet
Author: tlinnet Date: Mon Feb 24 14:20:41 2014 New Revision: 22283 URL: http://svn.gna.org/viewcvs/relax?rev=22283view=rev Log: Added unit test for looping over: exp, frq, offset, point, time. Regarding bug #21665, (https://gna.org/bugs/?21665) - Running a CPMG analysis with two fields at two

r22285 - /trunk/test_suite/unit_tests/_specific_analyses/_relax_disp/test_disp_data.py

2014-02-24 Thread tlinnet
Author: tlinnet Date: Mon Feb 24 14:20:45 2014 New Revision: 22285 URL: http://svn.gna.org/viewcvs/relax?rev=22285view=rev Log: Replaced print commands to be compatible with Python 3.x Regarding bug #21665, (https://gna.org/bugs/?21665) - Running a CPMG analysis with two fields at two delay

r22284 - /trunk/specific_analyses/relax_disp/disp_data.py

2014-02-24 Thread tlinnet
Author: tlinnet Date: Mon Feb 24 14:20:43 2014 New Revision: 22284 URL: http://svn.gna.org/viewcvs/relax?rev=22284view=rev Log: Expanded the loop_time function to optional take the spectrometer frequency as input for restricting looping. Regarding bug #21665, (https://gna.org/bugs/?21665

r22293 - /trunk/test_suite/unit_tests/_specific_analyses/_relax_disp/test_disp_data.py

2014-02-24 Thread tlinnet
Author: tlinnet Date: Mon Feb 24 17:06:36 2014 New Revision: 22293 URL: http://svn.gna.org/viewcvs/relax?rev=22293view=rev Log: Added system test for loop_time. Regarding bug #21665, (https://gna.org/bugs/?21665) - Running a CPMG analysis with two fields at two delay times. This system can

r22291 - /trunk/test_suite/unit_tests/_specific_analyses/_relax_disp/test_disp_data.py

2014-02-24 Thread tlinnet
Author: tlinnet Date: Mon Feb 24 17:06:33 2014 New Revision: 22291 URL: http://svn.gna.org/viewcvs/relax?rev=22291view=rev Log: Modified unit test to pass. Regarding bug #21665, (https://gna.org/bugs/?21665) - Running a CPMG analysis with two fields at two delay times. Implemented as suggested

r22292 - /trunk/specific_analyses/relax_disp/disp_data.py

2014-02-24 Thread tlinnet
Author: tlinnet Date: Mon Feb 24 17:06:35 2014 New Revision: 22292 URL: http://svn.gna.org/viewcvs/relax?rev=22292view=rev Log: Expanded the loop_time function to optional take the offset and dispersion point as input for restricting looping. Regarding bug #21665, (https://gna.org/bugs/?21665

r22294 - in /trunk/specific_analyses/relax_disp: api.py disp_data.py

2014-02-24 Thread tlinnet
Author: tlinnet Date: Mon Feb 24 18:28:11 2014 New Revision: 22294 URL: http://svn.gna.org/viewcvs/relax?rev=22294view=rev Log: Replacing looping over time points from cdp.relax_time_list to loop_time(frq=frq). Regarding bug #21665, (https://gna.org/bugs/?21665) - Running a CPMG analysis

r22308 - /trunk/test_suite/unit_tests/_specific_analyses/_relax_disp/test_disp_data.py

2014-02-25 Thread tlinnet
Author: tlinnet Date: Tue Feb 25 15:05:03 2014 New Revision: 22308 URL: http://svn.gna.org/viewcvs/relax?rev=22308view=rev Log: Re-ordered unit tests for test of get_curve_type() and has_exponential_exp_type(). Regarding bug #21665, (https://gna.org/bugs/?21665) - Running a CPMG analysis

r22305 - /trunk/test_suite/unit_tests/_specific_analyses/_relax_disp/test_disp_data.py

2014-02-25 Thread tlinnet
Author: tlinnet Date: Tue Feb 25 15:04:56 2014 New Revision: 22305 URL: http://svn.gna.org/viewcvs/relax?rev=22305view=rev Log: Added test for return of get_curve_type(), to match 'fixed time'. Regarding bug #21665, (https://gna.org/bugs/?21665) - Running a CPMG analysis with two fields at two

r22302 - /trunk/specific_analyses/relax_disp/disp_data.py

2014-02-25 Thread tlinnet
Author: tlinnet Date: Tue Feb 25 15:04:51 2014 New Revision: 22302 URL: http://svn.gna.org/viewcvs/relax?rev=22302view=rev Log: Made count_relax_times() take optional arguments as: exp_type, frq, offset, point. Regarding bug #21665, (https://gna.org/bugs/?21665) - Running a CPMG analysis

  1   2   3   4   5   6   7   8   9   10   >