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SVN archive Commit Log


Commit Date  
[r28095] by bugman

Modified the internal structural object to be less influenced by the format of the PDB.

The PDB serial number is now intelligently handled, in that it is reset to 1 when a new model is
created. This information is still kept for supporting the logic of the reading of the CONECT
records, and will be eliminated in the future.

The chain ID information is now no longer stored in the internal structural object, as this
information is recreated by the structure.write_pdb user function based on how the internal
structural object has been created.

2015-11-25 17:09:01 Tree
[r28094] by tlinnet

Fix for spelling mistake and documenting the new behavior of relax_disp.r2eff_read(), when reading r2eff points with the same frequency.

If the spin-container already contain r2eff values with the 'frequency of the CPMG pulse' or 'spin-lock field strength',
the frequency will be changed by a infinitesimal small value of + 0.001 Hz.
This allow for duplicates or more of the same frequency.

2015-11-24 07:15:43 Tree
[r28093] by tlinnet

Using Gary's lib.float.isNaN() instead of math.isnan(), to have backwards compability with python 2.5.

2015-11-24 07:15:35 Tree
[r28092] by bugman

Added the svn:mime-type property as "application/octet-stream" to all bzip2 compressed files.

This is to avoid binary diffs.

The command used was:
find -iname "*.bz2" -exec svn propset svn:mime-type "application/octet-stream" {} \;

2015-11-23 11:49:57 Tree
[r28091] by bugman

Added a sample script for back-calculating relaxation data from a model-free results file.

This is useful when the results file is not the final model, as these results file do not contain
the back-calculated data. This is in response to Christina Möller's sr #3303 support request
(https://gna.org/support/?3303).

2015-11-23 09:20:47 Tree
[r28090] by tlinnet

Fix for GUI test: relax --gui-tests Relax_disp.test_paul_schanda_nov_2015 --time -d.

When loading from a script state file, the value of "None" can be present.
This is now set to the standard values.

2015-11-22 18:03:10 Tree
[r28089] by tlinnet

Added GUI test: relax --gui-tests Relax_disp.test_paul_schanda_nov_2015 --time -d

This will show that loading a state will create a problem.

Traceback (most recent call last):
File "/Users/tlinnet/software/relax_trunk/test_suite/gui_tests/relax_disp.py", line 445, in test_paul_schanda_nov_2015
self.app.gui.state_load(file_name=state_file)
File "/Users/tlinnet/software/relax_trunk/gui/relax_gui.py", line 841, in state_load
self.sync_ds(upload=False)
File "/Users/tlinnet/software/relax_trunk/gui/relax_gui.py", line 893, in sync_ds
page.sync_ds(upload)
File "/Users/tlinnet/software/relax_trunk/gui/analyses/auto_relax_disp.py", line 646, in sync_ds
self.grid_inc.SetValue(int(self.data.grid_inc))
TypeError: int() argument must be a string or a number, not 'NoneType'

2015-11-22 17:02:17 Tree
[r28088] by tlinnet

Added a temporary state and a script for GUI setup to the data Paul Schanda.

2015-11-22 17:02:15 Tree
[r28087] by tlinnet

Extended the systemtest -s Relax_disp.test_paul_schanda_nov_2015 to include auto analysis and clustered fits.

This should show that the analysis is now possible.

2015-11-22 17:02:12 Tree
[r28086] by tlinnet

Removed lines in example script.

2015-11-22 17:02:10 Tree
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