relax SVN archive

Ported r8389 from the old relax_disp branch into the new branch.

The command used was:
svn merge -r8388:8389 svn+ssh://bugman@.../svn/relax/branches/relax_disp@r18123 .

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r8389 | semor | 2009-01-11 18:28:31 +0100 (Sun, 11 Jan 2009) | 6 lines
Changed paths:
D /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1
A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-a (from /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1:8362)
A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-a/1000.in_sparky (from /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/1
000.in_sparky:8363)
A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-a/133.33.in.bis_sparky (from /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/datas
et_1/133.33.in.bis_sparky:8363)
A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-a/133.33.in_sparky (from /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1
/133.33.in_sparky:8363)
A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-a/200.in_sparky (from /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/20
0.in_sparky:8363)
A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-a/266.67.in_sparky (from /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1
/266.67.in_sparky:8363)
A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-a/333.33.in_sparky (from /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1
/333.33.in_sparky:8363)
A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-a/400.in_sparky (from /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/40
0.in_sparky:8363)
A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-a/466.67.in_sparky (from /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1
/466.67.in_sparky:8363)
A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-a/533.33.in.bis_sparky (from /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/datas
et_1/533.33.in.bis_sparky:8363)
A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-a/533.33.in_sparky (from /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1
/533.33.in_sparky:8363)
A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-a/600.in_sparky (from /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/60
0.in_sparky:8363)
A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-a/66.667.in_sparky (from /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1
/66.667.in_sparky:8363)
A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-a/666.67.in_sparky (from /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1
/666.67.in_sparky:8363)
A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-a/733.33.in_sparky (from /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1
/733.33.in_sparky:8363)
A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-a/800.in_sparky (from /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/80
0.in_sparky:8363)
A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-a/866.67.in_sparky (from /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1
/866.67.in_sparky:8363)
A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-a/933.33.in.bis_sparky (from /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/datas
et_1/933.33.in.bis_sparky:8363)
A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-a/933.33.in_sparky (from /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1
/933.33.in_sparky:8363)
R /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-a/readme (from /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/readme:83
63)
A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-a/reference.in_sparky (from /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/datase
t_1/reference.in_sparky:8363)
A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-a/unresolved (from /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/unres
olved:8365)
M /branches/relax_disp/test_suite/system_tests/scripts/relax_disp_cpmg_fast.py
M /branches/relax_disp/test_suite/system_tests/scripts/relax_disp_cpmg_slow.py

Added details to the readme file and changed the directory name where the sample data is located.

The directory is now named 'dataset_1-a'. This contains data recorded at 500 MHz. Data recorded at
800 MHz will be put in a directory called 'dataset_1-b'.
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Ported r8367 from the old relax_disp branch into the new branch.

The command used was:
svn merge -r8366:8367 svn+ssh://bugman@.../svn/relax/branches/relax_disp@r18123 .

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r8367 | semor | 2009-01-11 00:10:31 +0100 (Sun, 11 Jan 2009) | 6 lines
Changed paths:
M /branches/relax_disp/test_suite/system_tests/scripts/relax_disp_cpmg_slow.py

Modified the newly copied script so it is effectively for the slow-exchange regime.

Note that this script was originally copied using the command:
svn cp test_suite/system_tests/scripts/relax_disp_cpmg_fast.py test_suite/system_tests/scripts/relax_disp_cpmg_slow.py
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Ported r8366 from the old relax_disp branch into the new branch.

The command used was:
svn merge -r8365:8366 svn+ssh://bugman@.../svn/relax/branches/relax_disp@r18123 .

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r8366 | semor | 2009-01-11 00:08:47 +0100 (Sun, 11 Jan 2009) | 3 lines
Changed paths:
A /branches/relax_disp/test_suite/system_tests/scripts/relax_disp_cpmg_slow.py (from /branches/relax_disp/test_suite/system_tests/scripts/relax_disp_cpmg_fast.py:8364)

Copied the script for the fast-exchange regime to the slow-exchange regime.
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Ported r8365 from the old relax_disp branch into the new branch.

The command used was:
svn merge -r8364:8365 svn+ssh://bugman@.../svn/relax/branches/relax_disp@r18123 .

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r8365 | semor | 2009-01-10 22:04:27 +0100 (Sat, 10 Jan 2009) | 3 lines
Changed paths:
A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/unresolved

Added an unresolved file to meet the script requirements.
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Ported r8364 from the old relax_disp branch into the new branch.

The commands used were:
svn merge -r8363:8364 svn+ssh://bugman@.../svn/relax/branches/relax_disp/specific_fns/@r18123 specific_analyses
svn merge -r8363:8364 svn+ssh://bugman@.../svn/relax/branches/relax_disp/test_suite/@r18123 test_suite

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r8364 | semor | 2009-01-10 21:57:57 +0100 (Sat, 10 Jan 2009) | 3 lines
Changed paths:
M /branches/relax_disp/specific_fns/relax_disp.py
M /branches/relax_disp/test_suite/system_tests/scripts/relax_disp_cpmg_fast.py

Changed the format of the CPMG frequency and corrected the names of some input files.
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Ported r8363 from the old relax_disp branch into the new branch.

The command used was:
svn merge -r8362:8363 svn+ssh://bugman@.../svn/relax/branches/relax_disp@r18123 .

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r8363 | semor | 2009-01-10 21:50:01 +0100 (Sat, 10 Jan 2009) | 4 lines
Changed paths:
A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/1000.in_sparky
A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/133.33.in.bis_sparky
A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/133.33.in_sparky
A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/200.in_sparky
A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/266.67.in_sparky
A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/333.33.in_sparky
A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/400.in_sparky
A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/466.67.in_sparky
A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/533.33.in.bis_sparky
A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/533.33.in_sparky
A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/600.in_sparky
A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/66.667.in_sparky
A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/666.67.in_sparky
A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/733.33.in_sparky
A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/800.in_sparky
A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/866.67.in_sparky
A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/933.33.in.bis_sparky
A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/933.33.in_sparky
M /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/readme
A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/reference.in_sparky
M /branches/relax_disp/test_suite/system_tests/scripts/relax_disp_cpmg_fast.py

Added 'Sparky' formatted files to the system-test so the files can be input and development of the
branch continued.
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Ported r8362 from the old relax_disp branch into the new branch.

The command used was:
svn merge -r8361:8362 svn+ssh://bugman@.../svn/relax/branches/relax_disp@r18123 .

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r8362 | semor | 2009-01-10 21:09:49 +0100 (Sat, 10 Jan 2009) | 11 lines
Changed paths:
A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp
A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1
A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/1000.in
A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/133.33.in
A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/133.33.in.bis
A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/200.in
A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/266.67.in
A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/333.33.in
A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/400.in
A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/466.67.in
A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/533.33.in
A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/533.33.in.bis
A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/600.in
A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/66.667.in
A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/666.67.in
A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/733.33.in
A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/800.in
A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/866.67.in
A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/933.33.in
A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/933.33.in.bis
A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/fake_sequence.in
A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/readme
A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/reference.in
M /branches/relax_disp/test_suite/system_tests/scripts/relax_disp_cpmg_fast.py

Added a relaxation dispersion dataset in the system-test.

This was kindly provided by Dr Flemming Hansen (flemming AT pound DOT med DOT utoronto DOT ca) and
was previously published in: Hansen, Vallurupalli & Kay, 2008, JPhysChemB, 112: 5898-5904.

The original format was different and was modified to better suit the way relax handles datasets.

Finally, the information contained here were written in a 'readme' file placed in the same
directory as the dataset itself to allow referencing and acknowledgments.
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Ported r8361 from the old relax_disp branch into the new branch.

The command used was:
svn merge -r8360:8361 svn+ssh://bugman@.../svn/relax/branches/relax_disp/specific_fns/@r18123 specific_analyses

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r8361 | semor | 2009-01-10 17:56:56 +0100 (Sat, 10 Jan 2009) | 3 lines
Changed paths:
M /branches/relax_disp/specific_fns/relax_disp.py

Changed the default cpmg_frq value in cpmg_frq() from 0 to None.
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Ported r8360 from the old relax_disp branch into the new branch.

The command used was:
svn merge -r8359:8360 svn+ssh://bugman@.../svn/relax/branches/relax_disp/specific_fns/@r18123 specific_analyses

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r8360 | semor | 2009-01-10 17:48:17 +0100 (Sat, 10 Jan 2009) | 3 lines
Changed paths:
M /branches/relax_disp/specific_fns/relax_disp.py

Corrected a few dosctrings.
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Ported r8359 from the old relax_disp branch into the new branch.

The command used was:
svn merge -r8358:8359 svn+ssh://bugman@.../svn/relax/branches/relax_disp/specific_fns/@r18123 specific_analyses

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r8359 | semor | 2009-01-10 17:32:59 +0100 (Sat, 10 Jan 2009) | 3 lines
Changed paths:
M /branches/relax_disp/specific_fns/relax_disp.py

Corrected some print outs...
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