relax SVN archive

Improvement for the relaxation dispersion auto-analysis.

The names of the data pipes created by the auto-analysis are now unique, but appending the name of
the data pipe bundle to the end. This allows multiple dispersion auto-analyses to exist within one
relax state file.

Expansion of the tutorial for running the relaxation dispersion analysis in the GUI.

The tutorial is now close to complete. The peak intensity loading wizard section is complete as
well the model selection window and optimisation settings sections and the relax execution.

Merged revisions 22247 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

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r22247 | bugman | 2014-02-21 20:25:28 +0100 (Fri, 21 Feb 2014) | 9 lines

Fix for bug #21704, the failure of the GUI analyses when the home directory '~' character is used.

The bug is located at https://gna.org/bugs/?21704.

The problem is located in many parts of the program, and other problematic areas may still be
present. In all cases where the directory or file is accessed, the os.path.expanduser() function
must be called.
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Fix for bug #21704, the failure of the GUI analyses when the home directory '~' character is used.

The bug is located at https://gna.org/bugs/?21704.

The problem is located in many parts of the program, and other problematic areas may still be
present. In all cases where the directory or file is accessed, the os.path.expanduser() function
must be called.

Merged revisions 22240-22241,22243-22245 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

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r22240 | bugman | 2014-02-21 16:51:17 +0100 (Fri, 21 Feb 2014) | 5 lines

Expanded the Peak_lists.test_read_peak_list_sparky_double system test to check all intensities.

This now checks all of the peak heights read by the spectrum.read_intensities user function.
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r22241 | bugman | 2014-02-21 16:59:37 +0100 (Fri, 21 Feb 2014) | 5 lines

Expanded the capabilities of the spectrum.read_intensities user function.

Now multiple files can be loaded simultaneously.
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r22243 | bugman | 2014-02-21 17:27:34 +0100 (Fri, 21 Feb 2014) | 7 lines

Fix for the multiple file selection GUI element.

The GUI element now returns single values rather than lists from the GetValue() function when only
a single file is selected. This allows the spectrum.read_intensities user function to operate
normally again in the GUI.
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r22244 | bugman | 2014-02-21 17:29:11 +0100 (Fri, 21 Feb 2014) | 6 lines

Minor fix for the Relax_disp.test_bug_21076_multi_col_peak_list system test.

The spectrum ID argument ['auto'] has been changed to the single value of 'auto'. This argument
should not be a list.
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r22245 | bugman | 2014-02-21 17:32:37 +0100 (Fri, 21 Feb 2014) | 5 lines

Fixes for the User_functions.test_structure_pdb_read GUI test.

This test was failing due to the recent changes to the sequence input GUI element.
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Fixes for the User_functions.test_structure_pdb_read GUI test.

This test was failing due to the recent changes to the sequence input GUI element.

Minor fix for the Relax_disp.test_bug_21076_multi_col_peak_list system test.

The spectrum ID argument ['auto'] has been changed to the single value of 'auto'. This argument
should not be a list.

Fix for the multiple file selection GUI element.

The GUI element now returns single values rather than lists from the GetValue() function when only
a single file is selected. This allows the spectrum.read_intensities user function to operate
normally again in the GUI.

Merged revisions 22219-22239 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

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r22219 | bugman | 2014-02-20 10:39:34 +0100 (Thu, 20 Feb 2014) | 5 lines

Expanded the relaxation dispersion GUI tutorial in the manual.

This now includes the first steps for loading the peak intensity data.
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r22220 | tlinnet | 2014-02-20 18:15:43 +0100 (Thu, 20 Feb 2014) | 3 lines

Added the The relaxation time period to be used when returning cpmg frqs.

Regarding bug #21665, (https://gna.org/bugs/?21665) - Running a CPMG analysis with two fields at two delay times.
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r22221 | tlinnet | 2014-02-20 18:16:39 +0100 (Thu, 20 Feb 2014) | 3 lines

Added test for skipping non-matching time points.

Regarding bug #21665, (https://gna.org/bugs/?21665) - Running a CPMG analysis with two fields at two delay times.
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r22222 | tlinnet | 2014-02-20 18:16:51 +0100 (Thu, 20 Feb 2014) | 3 lines

Switched the looping over time points and dispersion points.

Regarding bug #21665, (https://gna.org/bugs/?21665) - Running a CPMG analysis with two fields at two delay times.
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r22223 | tlinnet | 2014-02-20 18:17:00 +0100 (Thu, 20 Feb 2014) | 3 lines

Added the time point to be sent into the return function of cpmg frequencies.

Regarding bug #21665, (https://gna.org/bugs/?21665) - Running a CPMG analysis with two fields at two delay times.
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r22224 | tlinnet | 2014-02-20 18:17:11 +0100 (Thu, 20 Feb 2014) | 3 lines

Improved unit test for cathing both time and dispersion point when looping over experiment and time points.

Regarding bug #21665, (https://gna.org/bugs/?21665) - Running a CPMG analysis with two fields at two delay times.
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r22225 | bugman | 2014-02-21 09:08:05 +0100 (Fri, 21 Feb 2014) | 5 lines

Modified the spectrum.read_intensities user function frontend to load multiple files.

This follows from the thread http://thread.gmane.org/gmane.science.nmr.relax.devel/5057/focus=5062.
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r22226 | bugman | 2014-02-21 09:16:36 +0100 (Fri, 21 Feb 2014) | 20 lines

Implemented the GUI element for loading multiple files.

This follows from the thread http://thread.gmane.org/gmane.science.nmr.relax.devel/5057/focus=5062.

This is via the new user function argument type "file sel multi", now used by the
spectrum.read_intensities user function. The file selection element consists of two parts. The GUI
element embedded in the user function wizard page is similar to the "file sel" element, except that
the preview button is not present. The file selection button behaviour is also different in that it
launches the new multiple file selection window.

The multiple file selection window is based on the 'sequence' data window, as used in the spectrum
ID argument for the spectrum.read_intensities user function. However the ListCtrl element has been
replaced by a custom scrolled panel. The 'Add' button adds a new file selection GUI element
consisting of a TextCtrl for displaying and manual editing of the file name, the file selection
button for launching the relax file selection dialog, and the preview button lost in the parent GUI
element. The scrolled panel allows more elements in the panel than can fit in the window. The
'Delete all' and 'OK' buttons from the 'sequence' data window are also present and function as
expected.
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r22227 | bugman | 2014-02-21 09:29:43 +0100 (Fri, 21 Feb 2014) | 8 lines

Modification of the new multiple file selection GUI element.

The multiple file selection window now shows the index (plus one) of each file selection element at
the front of that element. This way the user can easily see how many file elements there are and
can match file names to numbers. This will help in making sure that the file names and spectrum ID
elements correspond to each other.
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r22228 | bugman | 2014-02-21 09:38:48 +0100 (Fri, 21 Feb 2014) | 7 lines

Added a 'Delete' button to the new multiple file selection GUI window.

This simply deletes the last item in the list. This will be useful if the user clicks on the 'Add'
button too many times - instead of clicking 'Delete all' and having to re-select all files, now the
last element can be removed.
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r22229 | bugman | 2014-02-21 10:00:01 +0100 (Fri, 21 Feb 2014) | 8 lines

Improved the behaviour of the multiple file selection GUI window.

The RelaxFileDialog GUI element is now initialised when the file selection button is clicked rather
than in the __init__() method. The result of this change is that the current working directory is
dynamically changed in the RelaxFileDialog, hence if the directory is changed in one file selection
element, it will look like it is changed in all.
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r22230 | bugman | 2014-02-21 10:00:22 +0100 (Fri, 21 Feb 2014) | 3 lines

Small spacing fix.
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r22231 | bugman | 2014-02-21 10:22:46 +0100 (Fri, 21 Feb 2014) | 6 lines

Renamed the test_loop_exp_time() dispersion unit test to test_loop_exp_frq_offset_point_time().

This is for the specific_analyses.relax_disp.disp_data.Test_disp_data.test_loop_exp_frq_offset_point_time()
unit test. The name better reflects the function being tested.
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r22232 | bugman | 2014-02-21 10:35:04 +0100 (Fri, 21 Feb 2014) | 7 lines

Created the test_loop_exp_frq() dispersion unit test.

This checks the operation of the loop_exp_frq() function from the module
specific_analyses.relax_disp.disp_data. It uses the data attached to the bug report at
https://gna.org/bugs/?21665.
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r22233 | bugman | 2014-02-21 11:21:25 +0100 (Fri, 21 Feb 2014) | 5 lines

Fixes for the unit tests of the spectrum.read_intensities user function.

A number of checks were not correctly set up, and the recent changes caused others to now fail.
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r22234 | bugman | 2014-02-21 11:40:22 +0100 (Fri, 21 Feb 2014) | 8 lines

Modified the GUI window for inputting sequence data to include item numbers.

An non-editable initial column with the number of each item has been added. This is to help the
user when, for example, the items of one sequence element should match another (for example in the
spectrum.read_intensities user function where multiple file names should match multiple spectrum
IDs).
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r22235 | bugman | 2014-02-21 13:49:13 +0100 (Fri, 21 Feb 2014) | 7 lines

Added a 'Delete' button to the sequence input GUI window.

This is to match the multiple file selection GUI window. The button allows the user to delete the
last item from the list. So if 'Add' has been clicked too many times, the user does not have to
start again from scratch by clicking on 'Delete all'.
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r22236 | bugman | 2014-02-21 13:49:48 +0100 (Fri, 21 Feb 2014) | 3 lines

Removed a debugging printout statement accidentally committed at r22235.
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r22237 | bugman | 2014-02-21 14:19:37 +0100 (Fri, 21 Feb 2014) | 5 lines

More modifications to the sequence input GUI window to match the multiple file selection element.

The window now starts with a single element rather than nothing.
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r22238 | bugman | 2014-02-21 16:08:36 +0100 (Fri, 21 Feb 2014) | 5 lines

Continued expanding the tutorial for performing a relaxation dispersion analysis in the GUI.

This is for the dispersion chapter of the manual.
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r22239 | bugman | 2014-02-21 16:12:03 +0100 (Fri, 21 Feb 2014) | 6 lines

Created the Peak_lists.test_read_peak_list_sparky_double system test.

This is used to test the loading of multiple files simultaneously by the spectrum.read_intensities
user function.
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Expanded the capabilities of the spectrum.read_intensities user function.

Now multiple files can be loaded simultaneously.