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Commit Date  
[r27729] by bugman

Copyright update.

2015-03-02 16:21:19 Tree
[r27728] by bugman

Added a printout to the sequence.attach_protons user function listing all the newly created spins.

2015-03-02 16:21:04 Tree
[r27727] by bugman

Copyright update.

2015-03-02 16:16:56 Tree
[r27726] by bugman

Simplification of the new Rdc.test_rdc_copy_different_spins system test.

This no longer tests the deletion of interatomic data containers by the spin.delete user function,
something which is not implemented.

2015-03-02 16:16:44 Tree
[r27725] by bugman

Created a system test to show a limitation of the rdc.copy user function.

Currently, it cannot work when spin systems in two data pipes are different. The system test will
be used to implement the support.

2015-03-02 15:55:08 Tree
[r27724] by bugman

Fix for the rdc.write user function.

The check for the missing rdc_data_types variable in the interatomic containers is now more
comprehensive and checks for the presence of the alignment ID.

2015-03-02 14:34:59 Tree
[r27723] by bugman

Bug fix for the results.write user function when loading relax state files.

The results.write user function can load not only the results file consisting of a single data pipe,
but also relax state files if only a single pipe is present. However this was causing the current
data pipe and other pipe-independent data (sequence alignments and the GUI) to be overwritten, just
as when loading a state file. Now only the data from the data pipe will be loaded and the pipe
independent data in the state file will be ignored.

2015-03-02 14:32:59 Tree
[r27722] by bugman

Improvement for the structure.mean user function.

This can now be used to store an averaged structure in an empty data pipe. Previously structural
data needed to be present in the current data pipe for the user function to work.

2015-03-02 10:58:42 Tree
[r27721] by bugman

Added the new 'atom_id' argument to the frame_order.distribute user function.

This uses the new inverse selection functionality recently introduced into the trunk to delete all
structural data not matching the atom_id from the copy of the loaded structural data string prior to
generating the distribution of structures.

2015-02-25 13:16:04 Tree
[r27720] by bugman

Merged revisions 27717-27719 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

........
r27717 | bugman | 2015-02-24 12:08:43 +0100 (Tue, 24 Feb 2015) | 3 lines

Improvement for a RelaxError message when assembling structural data but no coordinates can be found.
........
r27718 | bugman | 2015-02-25 13:46:35 +0100 (Wed, 25 Feb 2015) | 6 lines

Created a series of unit tests for implementing a new internal structural object feature.

These tests check a new 'inv' argument for the selection() structural object method for allowing all
atoms not matching the atom ID string to be selected.
........
r27719 | bugman | 2015-02-25 13:58:45 +0100 (Wed, 25 Feb 2015) | 6 lines

Implemented the new 'inv' argument for the selection() structural object method.

This allows for all atoms not matching the atom ID string to be selected. The unit tests for this
argument now all pass, validating the implementation.
........

2015-02-25 13:00:53 Tree
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