Commit | Date | |
---|---|---|
[r27075]
by
bugman
More improvements for the structure ID strings returned by the assemble_coord_array() function. |
2014-12-11 09:38:43 | Tree |
[r27074]
by
bugman
Changed the structure ID strings returned by the assemble_coord_array() function. This is from the lib.structure.internal.coordinates module. The structural object name is only |
2014-12-11 09:33:05 | Tree |
[r27073]
by
bugman
The coordinate assembly function now returns list of unique IDs. This is for each structural object, model and molecule. |
2014-12-11 09:20:56 | Tree |
2014-12-11 09:02:23 | Tree | |
[r27071]
by
bugman
Tooltip standardisation for the structure.align and structure.find_pivot user functions. |
2014-12-11 08:49:08 | Tree |
[r27070]
by
bugman
Shift of the atomic coordinate assembly code into the relax library. Most of the pipe_control.structure.main.assemble_coordinates() function has been shifted into the This code abstraction increases the usefulness of the atomic coordinate assembly and allows it to be |
2014-12-11 08:44:53 | Tree |
[r27069]
by
bugman
Converted the structure.find_pivot user function to the new pipes/models/molecules/atom_id design. This allows the motional pivot algorithm to work on atomic coordinates from different data pipes, The Structure.test_find_pivot and Structure.test_find_pivot_molecules system tests have been updated |
2014-12-11 08:25:06 | Tree |
[r27068]
by
bugman
Changed the argument order for the structure.align user function. The standardised order will now be pipes, models, molecules, atom_id, etc. |
2014-12-11 08:04:35 | Tree |
[r27067]
by
bugman
Shifted the atomic assembly code from the structure.align user function into its own function. The new function assemble_coordinates() of the pipe_control.structure.main module will be used to |
2014-12-11 07:58:36 | Tree |
[r27066]
by
bugman
Implemented the molecules argument for the structure.find_pivot user function. This allows the motional pivot optimisation between different molecules rather than different |
2014-12-11 07:41:07 | Tree |