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Commit Date  
[r27733] by bugman

Big bug fix for the pipe_control.interatomic.interatomic_loop() function.

This was identified in the Rdc.test_rdc_copy_different_spins system test. The problem was that the
pipe argument was being ignored when looking up the spin containers. Hence if the pipe being worked
on was not the current data pipe, and the spin sequences were not identical, the function would
fail. This mainly affects the rdc.copy user function.

2015-03-02 17:13:09 Tree
[r27732] by bugman

Expansion of the Rdc.test_rdc_copy_different_spins system test.

The interatomic data containers are now defined via the interatom.define user function, which
requires the spin.element user function to set up the element information. A printout has also been
added to demonstrate a failure in the pipe_control.interatomic.interatomic_loop() function in
handling the correct data pipe.

2015-03-02 17:09:12 Tree
[r27731] by bugman

Another small fix for the new Rdc.test_rdc_copy_different_spins system test.

The rdc.copy user function requires the pipe_to argument to be supplied in this case.

2015-03-02 16:27:21 Tree
[r27730] by bugman

Some more fixes for the Rdc.test_rdc_copy_different_spins system test.

The residue.delete and not spin.delete user function is required to delete the sequence data.

2015-03-02 16:24:08 Tree
[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
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