relax SVN archive

Ported the changes of r19302 to the consistency testing and J(w) mapping analyses.

This is the code for checking for infinite relaxation rates imported from Bruker Dynamics Centre
files.

Merged revisions 19302 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

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r19302 | bugman | 2013-04-02 12:34:05 +0200 (Tue, 02 Apr 2013) | 8 lines

Fix for bug #20683 (https://gna.org/bugs/?20683) - the infinite and NaN data in Bruker DC files.

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

The model-free specific overfit_deselect() method now checks for infinite relaxation data and
deselects the spin if such data is encountered.
........

Fix for bug #20683 (https://gna.org/bugs/?20683) - the infinite and NaN data in Bruker DC files.

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

The model-free specific overfit_deselect() method now checks for infinite relaxation data and
deselects the spin if such data is encountered.

Merged revisions 19299 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

........
r19299 | bugman | 2013-04-02 12:26:19 +0200 (Tue, 02 Apr 2013) | 8 lines

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.
........

Merged revisions 19297 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

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r19297 | bugman | 2013-04-02 11:44:35 +0200 (Tue, 02 Apr 2013) | 78 lines

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.


------------------------------------------------------------------------
.....
........

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 .

.....
------------------------------------------------------------------------
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.


------------------------------------------------------------------------
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.


------------------------------------------------------------------------
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!


------------------------------------------------------------------------
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.


------------------------------------------------------------------------
------------------------------------------------------------------------
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.


------------------------------------------------------------------------
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.


------------------------------------------------------------------------
.....

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.