Commit | Date | |
---|---|---|
[r27092]
by
bugman
Fix for the structure.align user function if no data pipes are supplied. The pipes list was no longer being created as it was shifted to the assemble_coordinates() function, |
2014-12-11 15:03:42 | Tree |
[r27091]
by
bugman
Changed the design of the lib.structure.internal.coordinates.assemble_coord_array() function. The elements_flag argument has been renamed to seq_info_flag. If this is set, then in addition to All of the code in pipe_control.structure.main has been updated for the change. |
2014-12-11 15:00:21 | Tree |
[r27090]
by
bugman
Refactored the descriptions of a number of structure user functions. This includes the structure.align, structure.displacement, structure.find_pivot, structure.rmsd and |
2014-12-11 12:40:41 | Tree |
2014-12-11 12:13:19 | Tree | |
[r27088]
by
bugman
Code refactorisation for the structure.align user function backend. The looping over data pipes, model numbers, and molecule names, skipping those that don't match the |
2014-12-11 11:25:03 | Tree |
[r27087]
by
bugman
Fixes for the structure.superimpose and structure.align user functions. The fit_to_mean() and fit_to_first() functions of lib.structure.superimpose where being incorrectly |
2014-12-11 10:49:26 | Tree |
[r27086]
by
bugman
Modified the Structure.test_bug_22070_structure_superimpose_after_deletion system test. This now calls the structure.align user function after calling the structure.superimpose user |
2014-12-11 10:46:04 | Tree |
[r27085]
by
bugman
Documentation fix for the assemble_coord_array() function. The return values for lib.structure.internal.coordinates.assemble_coord_array() were incorrectly |
2014-12-11 10:42:40 | Tree |
[r27084]
by
bugman
Converted the structure.superimpose user function to the new pipes/models/molecules/atom_id design. The user function arguments have not changed, however the backend now uses the new |
2014-12-11 10:37:33 | Tree |
[r27083]
by
bugman
Created the internal structural object model_list() method. This is to simplify the assembly of a list of all current models in the structural object. |
2014-12-11 10:34:24 | Tree |