relax SVN archive

Created the Mf.test_bug_20683_bdc_inf_values system test.

This is for catching bug #20683 (https://gna.org/bugs/?20683) reported by Mengjun Xue <mengjun dott
xue att mailbox dott tu-berlin dot de>.

The problem is due to infinite and NaN values in the Bruker Dynamics Centre file.

Deleted the 2.2 line development as it was not set up correctly.

Manually merged r19291, r19292, r19293, r19294, r19295, r19296 from the 2.2 line to trunk.

The command used was:
svn merge -r19290:19296 svn+ssh://bugman@.../svn/relax/branches/2.2 .

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r19296 | bugman | 2013-04-02 11:41:09 +0200 (Tue, 02 Apr 2013) | 5 lines
Changed paths:
M /branches/2.2/test_suite/system_tests/scripts/bug_20674_jw_mapping.py

Fix for the Jw.test_bug_20674_jw_mapping system test.

The parameter f_eta is for consistency testing and not J(w) mapping.


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r19295 | bugman | 2013-04-02 11:39:55 +0200 (Tue, 02 Apr 2013) | 5 lines
Changed paths:
M /branches/2.2/test_suite/system_tests/scripts/bug_20674_jw_mapping.py

Converted the bug_20674_jw_mapping.py system test script to use the self._execute_uf() interface.

This allows the script to be used in the GUI.


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r19294 | bugman | 2013-04-02 11:33:22 +0200 (Tue, 02 Apr 2013) | 5 lines
Changed paths:
M /branches/2.2/test_suite/system_tests/scripts/consistency_tests.py
M /branches/2.2/test_suite/system_tests/scripts/curve_fitting/bug_19887_curvefit_fail.py
M /branches/2.2/test_suite/system_tests/scripts/jw_mapping.py
M /branches/2.2/test_suite/system_tests/scripts/model_free/bug_14941_local_tm_global_selection.py

System test speed ups - decreased the number of Monte Carlo simulations in many tests.

Running 500 simulation optimisations in a system test is a total waste of time!


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r19293 | bugman | 2013-04-02 11:27:32 +0200 (Tue, 02 Apr 2013) | 5 lines
Changed paths:
M /branches/2.2/specific_analyses/jw_mapping.py

Fix for the J(w) mapping analysis matching that of r19284 for the consistency testing.

The overfit_deselect() method is now identical to that of the consistency testing analysis.


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r19292 | bugman | 2013-04-02 11:23:09 +0200 (Tue, 02 Apr 2013) | 8 lines
Changed paths:
M /branches/2.2/test_suite/system_tests/jw_mapping.py
A /branches/2.2/test_suite/system_tests/scripts/bug_20674_jw_mapping.py (from /branches/2.2/test_suite/system_tests/scripts/bug_20674_ct_analysis_failure.py:19284)

Created the Jw.bug_20674_jw_mapping system test.

This is a modification of the Ct.test_bug_20674_ct_analysis_failure system test for catching bug
#20674 (https://gna.org/bugs/?20674). The test script was duplicated and the small modifications
made to convert it into the J(w) mapping analysis. This now reveals the same bug but for the J(w)
mapping analysis.


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r19291 | bugman | 2013-04-02 11:11:11 +0200 (Tue, 02 Apr 2013) | 5 lines
Changed paths:
M /branches/2.2/specific_analyses/model_free/main.py

Fix for the model-free analysis specific overfit_deselect() method.

The tests for the presence of dipolar relaxation was not correct and was non-functional.


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Fix for the Jw.test_bug_20674_jw_mapping system test.

The parameter f_eta is for consistency testing and not J(w) mapping.

Converted the bug_20674_jw_mapping.py system test script to use the self._execute_uf() interface.

This allows the script to be used in the GUI.

System test speed ups - decreased the number of Monte Carlo simulations in many tests.

Running 500 simulation optimisations in a system test is a total waste of time!

Fix for the J(w) mapping analysis matching that of r19284 for the consistency testing.

The overfit_deselect() method is now identical to that of the consistency testing analysis.

Created the Jw.bug_20674_jw_mapping system test.

This is a modification of the Ct.test_bug_20674_ct_analysis_failure system test for catching bug
#20674 (https://gna.org/bugs/?20674). The test script was duplicated and the small modifications
made to convert it into the J(w) mapping analysis. This now reveals the same bug but for the J(w)
mapping analysis.

Fix for the model-free analysis specific overfit_deselect() method.

The tests for the presence of dipolar relaxation was not correct and was non-functional.

Merged revisions 19289 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

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r19289 | bugman | 2013-04-02 11:08:27 +0200 (Tue, 02 Apr 2013) | 21 lines

Manually ported r19283 from the 2.2 development line to trunk.

The command used was:
svn merge -r19283:19284 svn+ssh://bugman@.../svn/relax/branches/2.2 .

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r19284 | bugman | 2013-04-02 11:02:34 +0200 (Tue, 02 Apr 2013) | 10 lines
Changed paths:
M /branches/2.2/specific_analyses/consistency_tests.py

Fix for bug #20674 (https://gna.org/bugs/?20674) - the failure of the consistency testing analysis.

This was reported by Mengjun Xue <mengjun dott xue att mailbox dott tu-berlin dot de>.

The problem was that the first residue did not have a single proton 'H' in the PDB file, and
therefore the dipolar relaxation interaction was not set up. The overfit_deselect() method of the
consistency testing specific API was not checking for this. The method is now much more like that
of the model-free specific analysis.
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