Commit | Date | |
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[r27079]
by
bugman
Another refinement for the structure ID strings returned by the assemble_coord_array() function. |
2014-12-11 09:55:24 | Tree |
[r27078]
by
bugman
Converted the structure.displacement user function to the new pipes/models/molecules/atom_id design. This allows the displacements to be calculated between atomic coordinates from different data pipes, The Structure.test_displacement system test has been updated for the user function argument changes. |
2014-12-11 09:50:16 | Tree |
[r27077]
by
bugman
Converted the internal structural displacement object to use unique IDs rather than model numbers. This allows the object to be much more flexible in what types of structures it can handle. This is |
2014-12-11 09:48:26 | Tree |
[r27076]
by
bugman
More improvements for the structure ID strings returned by the assemble_coord_array() function. |
2014-12-11 09:43:48 | Tree |
[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 |