relax SVN archive

Merged revisions 18816-18817 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

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r18816 | bugman | 2013-03-13 15:36:39 +0100 (Wed, 13 Mar 2013) | 5 lines

Shifted all of the model-free specific analysis class documentation variables to the top.

This is simply for better organisation of the code.
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r18817 | bugman | 2013-03-13 15:51:47 +0100 (Wed, 13 Mar 2013) | 6 lines

Created the model-free write_doc class variable talking about the field strength independent Rex value.

This has been added to the value.display and value.write user functions to explain that Rex values
are very small and that the user needs to scale them up.
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Created the model-free write_doc class variable talking about the field strength independent Rex value.

This has been added to the value.display and value.write user functions to explain that Rex values
are very small and that the user needs to scale them up.

Shifted all of the model-free specific analysis class documentation variables to the top.

This is simply for better organisation of the code.

Merged revisions 18814 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

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r18814 | bugman | 2013-03-13 15:32:03 +0100 (Wed, 13 Mar 2013) | 11 lines

Fix for the value.write user function for very small parameter values (Rex for example).

This was reported by Martin Ballaschk <ballaschk att fmp-berlin dott de> in the thread
http://thread.gmane.org/gmane.science.nmr.relax.user/1397/focus=1402 and by by Angelo Miguel
Figueiredo <am dott figueiredo att fct dot unl dot pt> in the unrelated bug report at
https://gna.org/bugs/?20613.

The formatting string "20.15f" has been changed to "20.15g" to allow Python to decide if the normal
decimal or exponential form of the number should be printed.
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Fix for the value.write user function for very small parameter values (Rex for example).

This was reported by Martin Ballaschk <ballaschk att fmp-berlin dott de> in the thread
http://thread.gmane.org/gmane.science.nmr.relax.user/1397/focus=1402 and by by Angelo Miguel
Figueiredo <am dott figueiredo att fct dot unl dot pt> in the unrelated bug report at
https://gna.org/bugs/?20613.

The formatting string "20.15f" has been changed to "20.15g" to allow Python to decide if the normal
decimal or exponential form of the number should be printed.

Merged revisions 18812 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

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r18812 | bugman | 2013-03-13 15:21:07 +0100 (Wed, 13 Mar 2013) | 10 lines

Fix for bug #20613 (https://gna.org/bugs/?20613), the failure of the diffusion tensor PDB creation.

This was reported by Angelo Miguel Figueiredo <am dott figueiredo att fct dot unl dot pt>.

The problem was that the diffusion tensor PDB representation structure.create_diff_tensor_pdb user
function was being called even when the local tm global model was selected. This naturally failed
as there is no global diffusion tensor. Now this user function is avoided for the local tm global
model.
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Fix for bug #20613 (https://gna.org/bugs/?20613), the failure of the diffusion tensor PDB creation.

This was reported by Angelo Miguel Figueiredo <am dott figueiredo att fct dot unl dot pt>.

The problem was that the diffusion tensor PDB representation structure.create_diff_tensor_pdb user
function was being called even when the local tm global model was selected. This naturally failed
as there is no global diffusion tensor. Now this user function is avoided for the local tm global
model.

Merged revisions 18810 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

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r18810 | bugman | 2013-03-13 15:13:33 +0100 (Wed, 13 Mar 2013) | 14 lines

Created the Mf.test_bug_20613_auto_mf_diff_tensor_pdb system test to catch bug #20613.

This was reported by Angelo Miguel Figueiredo <am dott figueiredo att fct dot unl dot pt> at
https://gna.org/bugs/?20613.

This test is a direct copy of the Mf.test_bug_20563_missing_ri_error system test. The only change
is that the local tm global model results file (in the local_tm/aic/ directory) has been modified.
This results were read into relax, the file test_suite/shared_data/structures/Ap4Aase_res1-12.pdb
loaded into the data pipe, and the results saved again.

This triggers the bug as the problem is the presence of structural data with the local tm global
model being selected in the auto-analysis.
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Created the Mf.test_bug_20613_auto_mf_diff_tensor_pdb system test to catch bug #20613.

This was reported by Angelo Miguel Figueiredo <am dott figueiredo att fct dot unl dot pt> at
https://gna.org/bugs/?20613.

This test is a direct copy of the Mf.test_bug_20563_missing_ri_error system test. The only change
is that the local tm global model results file (in the local_tm/aic/ directory) has been modified.
This results were read into relax, the file test_suite/shared_data/structures/Ap4Aase_res1-12.pdb
loaded into the data pipe, and the results saved again.

This triggers the bug as the problem is the presence of structural data with the local tm global
model being selected in the auto-analysis.

Merged revisions 18808 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

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r18808 | bugman | 2013-03-12 23:46:49 +0100 (Tue, 12 Mar 2013) | 5 lines

Modified the script for running the relax test-suite on multiple Python versions.

The pre-2.2 Python versions are now commented out as well as the abortive Python 3.0.
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