relax SVN archive

Another fix for the relaxation time data structure compatibility with different relax versions.

This is for the dispersion model profiling base script.

Fix for the relaxation time data structure compatibility with different relax versions.

This is for the dispersion model profiling base script.

Updated the dispersion model profiling scripts to handle new relax versions.

The relaxation time data structure is now being set up differently if relax 3.2.3 or earlier
versions are being used compared to the trunk or new versions. This allows the scripts to run on
all relax versions.

The dispersion model super profiling script now handles the IT99 bug differently.

Instead of printing out a comment within the table of results, the warnings from the
profiling_it99.py script will be printed out when it occurs.

The IT99 dispersion model profiling script can now handle the clustering bug.

For relax versions <= 3.2.2, the clustering is turned off as there was a bug in the IT99 model
target function. The script will print out a warning when this occurs.

Import fix for the dispersion model profiling base script.

Copied the dep_check.version_comparison() function into the dispersion model profiling base script.

This will be used to provide compatibility between different relax versions by allowing the version
numbers to be compared. The function needs to be copied here as older relax versions do not provide
this function.

Merged all dispersion model profiling scripts into the base.py module.

The test_suite/shared_data/dispersion/profiling/profiling_*.py scripts are now extremely minimal.
The change removes huge amounts of duplicated code. This will allow for much easier maintenance of
these profiling scripts as changes will only need to be made to the base.py script.

Merged the profiling_cr72.py and profiling_dpl94.py scripts into base.py.

These dispersion model profiling scripts have been merged into one base script, and the code in
profiling_cr72.py and profiling_dpl94.py minimised to imports, two class initialisation lines, and
the execution of the main() function. This removes a huge amount of code duplication and allows the
profiling scripts to be more easily modified, for example for compatibility with new relax versions.
All of the other profiling scripts will be updated to use this base script.

Merged revisions 25600-25615 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

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r25600 | bugman | 2014-09-03 19:42:14 +0200 (Wed, 03 Sep 2014) | 7 lines

Backported the relax 3.3.0 CHANGES file changes to trunk.

The commands used were:
svn merge -r25575:r25576 svn+ssh://bugman@.../svn/relax/tags/3.3.0 .
svn merge -r25579:r25599 svn+ssh://bugman@.../svn/relax/tags/3.3.0 .
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r25601 | bugman | 2014-09-03 20:19:01 +0200 (Wed, 03 Sep 2014) | 3 lines

Simplified the Release_Checklist document.
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r25602 | tlinnet | 2014-09-03 22:50:23 +0200 (Wed, 03 Sep 2014) | 3 lines

Added dependency check for the NMRPipe showApod program.

This program can be really usefull, if processing a large amount of data, and quickly needs to asses the RMSD of the spectrum.
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r25603 | tlinnet | 2014-09-03 22:50:33 +0200 (Wed, 03 Sep 2014) | 1 line

To the lib function of spectrum.nmrpipe, added function to call the NMRPipe program showApod, to get the output from the program.
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r25604 | tlinnet | 2014-09-03 22:50:35 +0200 (Wed, 03 Sep 2014) | 1 line

Added systemtest Relax_disp.test_show_apod_extract to call the showApod from NMRPipe.
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r25605 | tlinnet | 2014-09-03 22:50:37 +0200 (Wed, 03 Sep 2014) | 1 line

Added function to extract the 'Noise Std Dev' from NMRPipe showApod.
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r25606 | tlinnet | 2014-09-03 22:50:39 +0200 (Wed, 03 Sep 2014) | 1 line

Added systemtest to check the extraction of 'Noise Std Dev' from showApod in NMRPipe suite.
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r25607 | tlinnet | 2014-09-03 22:50:41 +0200 (Wed, 03 Sep 2014) | 1 line

Added function to write 'Noise Std Dev' from showApod to file, and fix documentation.
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r25608 | tlinnet | 2014-09-03 22:50:44 +0200 (Wed, 03 Sep 2014) | 3 lines

Systemtest added for checking the writing of 'Noise Std Dev' from showApod to file.

task #7826(https://gna.org/task/index.php?7826): Write an python class for the repeated analysis of dispersion data.
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r25609 | tlinnet | 2014-09-03 22:50:46 +0200 (Wed, 03 Sep 2014) | 1 line

Added function to lib.io to sort a list of filenames into human-understandable alphanumeric order.
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r25610 | tlinnet | 2014-09-03 22:50:48 +0200 (Wed, 03 Sep 2014) | 1 line

Added function to search a dir for NMRPipe fourier transformed files, call showApod on them, extract RMSD and write to file.
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r25611 | tlinnet | 2014-09-03 22:50:50 +0200 (Wed, 03 Sep 2014) | 1 line

Added systemtest to search a dir for NMRPipe .ft2 files, extract noise, and write to file.
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r25612 | tlinnet | 2014-09-03 22:50:52 +0200 (Wed, 03 Sep 2014) | 3 lines

Added initial start for protocol for repeated analysis of dispersion data.

task #7826(https://gna.org/task/index.php?7826): Write an python class for the repeated analysis of dispersion data.
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r25613 | tlinnet | 2014-09-03 22:50:53 +0200 (Wed, 03 Sep 2014) | 3 lines

Added initial systemtest for the protocol for repeated analysis of dispersion data.

task #7826(https://gna.org/task/index.php?7826): Write an python class for the repeated analysis of dispersion data.
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r25614 | tlinnet | 2014-09-03 22:50:57 +0200 (Wed, 03 Sep 2014) | 3 lines

Added initial dataset for the repeated analysis of CPMG data.

task #7826(https://gna.org/task/index.php?7826): Write an python class for the repeated analysis of dispersion data.
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r25615 | bugman | 2014-09-04 09:53:45 +0200 (Thu, 04 Sep 2014) | 5 lines

Created a compat_profiling module for maintaining compatibility for the dispersion model profiling.

This will be used to provide compatibility between all relax versions into the future.
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