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.
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
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
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) -
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,
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:
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,
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.
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
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,
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.
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
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,
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
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,
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
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:
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
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:
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
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,
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.
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,
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,
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
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
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
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,
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:
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
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:
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,
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,
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) -
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,
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
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,
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
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
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,
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
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:
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:
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:
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
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
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
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) -
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