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Commit Date  
[r28209] by bugman

relax version 4.0.2.

This is a minor feature and bugfix release. The new user functions system.cd and system.pwd have
been added to allow the working directory to be changed and displayed. The time and sys_info user
functions have been renamed to system.time and system.sys_info. The structure.delete_ss user
function has been created to remove the helix and sheet information from the internal structural
object. For bugs, the 'R2eff' dispersion model can now handle missing peaks in subsets of spectra,
and the structure.read_pdb can now handle multiple structures and multiple models with the merge
flag set.

2016-05-13 14:06:22 Tree
[r28208] by bugman

Mac OS X fixes for the Structure.test_pca and Structure.test_pca_observers system tests.

The eigenvectors on this OS are sometimes inverted. As the sign of the eigenvector is irrelevant,
the vectors hardcoded into the system tests are now inverted as required.

2016-05-12 09:46:15 Tree
[r28207] by bugman

Some more details for the *.eps.gz icon creation process.

2016-05-12 08:14:40 Tree
[r28206] by bugman

Added some missing oxygen icons to allow the relax manual to compile.

These are the 128x128 EPS versions of the places/folder-development.png and
places/folder-favorites.png Oxygen icons recently introduced. For completeness the 32x32, 48x48,
and 128x128 PNG versions of the icons have also been added.

To help create these EPS icons in the future, the graphics/README file has been added with a
description of the *.eps.gz file creation.

2016-05-12 08:12:29 Tree
[r28205] by bugman

Fix for the independence of the relax library.

As lib.system was using the status object, the library independence was broken. To work around
this, the module has simply been shifted into the pipe_control package.

2016-05-12 08:04:01 Tree
[r28204] by bugman

Fix for bug #24601.

This is the failure of the optimisation of the 'R2eff' dispersion model when peaks are missing from
one spectrum, as reported by Petr Padrta at https://gna.org/bugs/?24601.

To handle the missing data, the peak intensity keys are now checked for in the spin container
peak_intensities data structure. This is both for the R2eff model optimisation as well as the data
back-calculation. A warning is given when the key is missing. The relaxation dispersion
base_data_loop() method has been modified to now yield the spin ID string, as this is used in the
warnings.

In addition, the Grace plotting code in the relax library was also modified. When peak intensity
keys are missing, some of the Grace plots will have no data. The code will now generate a plot for
that data set, but detect the missing data and allow an empty plot to be created.

2016-04-27 09:13:48 Tree
[r28203] by bugman

Simplified the Relax_disp.test_bug_24601_r2eff_missing_data system test.

This is to allow the test to catch bug #24601 to complete in a reasonable time (2 seconds on one
system).

2016-04-27 09:08:35 Tree
[r28202] by bugman

Created a system test for catching bug #24601.

This is the failure of the optimisation of the 'R2eff' dispersion model when peaks are missing from
one spectrum, as reported by Petr Padrta at https://gna.org/bugs/?24601. The test uses his data and
script to trigger the bug.

2016-04-27 06:48:14 Tree
[r28201] by bugman

Fix for the GUI status bar element widths.

Fixed widths in pixels causes text truncation on many systems, depending on the width of the main
relax window. Instead variable widths should be used to allow wxPython to more elegantly present
the text while minimising truncation.

2016-04-20 08:33:29 Tree
[r28200] by bugman

Updated the frame order auto-analysis for the time -> system.time user function change.

2016-04-20 08:00:46 Tree
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