relax SVN archive

Added 9th and 10th unit test case for model B14.

These tests are setup, to check how the function behaves under conditions of the grid-seach.

Two tests are setup, which either use the default lower or upper bound of the parameters for the grid search.

The return of the values are not checked, but the behaving of the function can be found when adding the --numpy-raise to run relax.

This is related to: task #7793: (https://gna.org/task/?7793) Speed-up of dispersion models.

These tests are implemented to show bug cases related to:
Bug #22032: (bug #22032: Minimisation explodes when using Grid_INC=None) Minimisation explodes when using Grid_INC=None

The function can return nan or inf values, which are not handled by the minimisation algorithm, causing it to stop.
There needs to be mechanism to catch these cases.

Added all the default values for the lower/upper bounds which is set for the parameters in the grid search.

This is added in the collected table of specific_analysis/relax_disp/parameter_object.py.
The values were extracted from: specific_analysis/relax_disp/optimisation.py in grid_search_setup().

This is related to: task #7793: (https://gna.org/task/?7793) Speed-up of dispersion models.
Discussed in post http://thread.gmane.org/gmane.science.nmr.relax.devel/5986.

In any function, these default values can get accessed by:

from specific_analyses.relax_disp.parameter_object import Relax_disp_params
PARAMS = Relax_disp_params()
PARAMS.default_value('pA')
PARAMS.grid_upper('pA')

This provides a good look-up table, when stress testing the different lib/dispersion/* functions.

Added grid_upper to be handled in specific_analyses/parameter_object.py.

This is related to: task #7793: (https://gna.org/task/?7793) Speed-up of dispersion models.
Discussed in post http://thread.gmane.org/gmane.science.nmr.relax.devel/5986.

Added the default value upper grid value to be set for the pA parameter.

This is added in the collected table of specific_analysis/relax_disp/parameter_object.py.

This is related to: task #7793: (https://gna.org/task/?7793) Speed-up of dispersion models.
Discussed in post http://thread.gmane.org/gmane.science.nmr.relax.devel/5986.

In any function, these default values can get accessed by:

from specific_analyses.relax_disp.parameter_object import Relax_disp_params
PARAMS = Relax_disp_params()
PARAMS.default_value('pA')
PARAMS.grid_upper('pA')

Added grid_lower to be handled in specific_analyses/parameter_object.py.

This is related to: task #7793: (https://gna.org/task/?7793) Speed-up of dispersion models.
Discussed in post http://thread.gmane.org/gmane.science.nmr.relax.devel/5986.

Added the default value lower grid value to be set for the pA parameter.

This is added in the collected table of specific_analysis/relax_disp/parameter_object.py

This is related to: task #7793: (https://gna.org/task/?7793) Speed-up of dispersion models.
Discussed in post http://thread.gmane.org/gmane.science.nmr.relax.devel/5986.

In any function, these default values can get accessed by:

from specific_analyses.relax_disp.parameter_object import Relax_disp_params
PARAMS = Relax_disp_params()
PARAMS.default_value('pA')
PARAMS.grid_lower('pA')

Merged revisions 23498 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

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r23498 | tlinnet | 2014-05-28 11:28:32 +0200 (Wed, 28 May 2014) | 1 line

Added dim dimensions to match the x,y,z positions for GUI input in user function dx.map.
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Merged revisions 23497 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

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r23497 | tlinnet | 2014-05-28 11:28:30 +0200 (Wed, 28 May 2014) | 1 line

Moved py_type "list_val_or_list_of_list_val" to 2D sequence types.
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Merged revisions 23496 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

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r23496 | bugman | 2014-05-28 11:26:48 +0200 (Wed, 28 May 2014) | 6 lines

Created the User_functions.test_structure_rotate GUI tests.

This is to catch bug #22100 (https://gna.org/bugs/?22100), the rotation argument for the
structure.rotate user function cannot be changed in the GUI, as an AttributeError is raised.
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Merged revisions 23495 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

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r23495 | bugman | 2014-05-28 11:19:56 +0200 (Wed, 28 May 2014) | 7 lines

Modification to the Sequence_2D GUI element used for some user function windows.

The selection_win_show() method has been redefined, as the parent method from the Sequence element
is specific for the 1D sequence module. The open_dialog() method has also been modified to use the
new selection_win_show(), as well as the parent Sequence class selection_win_data() method.
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