Commit | Date | |
---|---|---|
[r27404]
by
bugman
Updates for the structure.sequence_alignment user function. This is for the changes to the lib.structure.internal.coordinates.assemble_atomic_coordinates() |
2015-01-30 17:54:08 | Tree |
[r27403]
by
bugman
Modified the data returned by lib.structure.internal.coordinates.assemble_atomic_coordinates(). The function will now assemble simple lists of object IDs, model numbers and molecule names with |
2015-01-30 17:52:30 | Tree |
[r27402]
by
bugman
Implemented the data store Sequence_alignments.from_xml() method. This method is required for being able to read RelaxListType objects from the XML file. |
2015-01-30 17:04:44 | Tree |
2015-01-30 17:03:56 | Tree | |
[r27400]
by
bugman
More advanced support for different numpy number types in the lib.xml relax library module. This allows numpy int16, int32, float32, and float64 objects to be stored and retrieved from relax |
2015-01-30 16:52:57 | Tree |
2015-01-30 16:42:54 | Tree | |
[r27398]
by
bugman
The data store ds.sequence_alignment object is now being treated as special and is blacklisted. The object is now explicitly recreated in the data store from_xml() method. |
2015-01-30 16:34:36 | Tree |
[r27397]
by
bugman
Fixes for the sequence alignment objects for the relax data store. The Sequence_alignments(RelaxListType) and Alignment(Element) classes were not being set up |
2015-01-30 16:31:48 | Tree |
[r27396]
by
bugman
Implemented the backend of the structure.sequence_alignment user function. This checks some of the input parameters, assembles the structural objects then the atomic |
2015-01-30 16:20:04 | Tree |
[r27395]
by
bugman
Spun out the atomic assembly code of the assemble_coord_array() function. The code from the lib.structure.internal.coordinates.assemble_coord_array() function has been |
2015-01-30 15:55:13 | Tree |