Commit | Date | |
---|---|---|
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, |
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 |
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 |
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, |
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 |
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 |
2015-02-25 13:16:04 | Tree |
[r27720]
by
bugman
Merged revisions 27717-27719 via svnmerge from ........ |
2015-02-25 13:00:53 | Tree |
[r27719]
by
bugman
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 |
2015-02-25 12:58:45 | Tree |
[r27718]
by
bugman
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 |
2015-02-25 12:46:35 | Tree |