relax SVN archive

Sequence alignments can now be retrieved without supplying the algorithm settings.

This is in the data_store.seq_align.Sequence_alignments.find_alignment() method. The change allows
for the retrieval of pre-existing sequence alignments at any stage.

Fix for the structure.sequence_alignment user function.

The alignment data should be stored in ds.sequence_alignments rather than ds.sequence_alignment.

Updated the Structure system tests for the structure.align and structure.superimpose user function merger.

Merger of the structure.align and structure.superimpose user functions.

The final user function is called structure.superimpose. As the sequence alignment component of the
structure.align user function has been shifted into the new structure.sequence_alignment user
function and the information is now stored in ds.sequence_alignments relax data store object, the
functionality of structure.align and structure.superimpose are now essentially the same. The
sequence alignment arguments and documentation has also been eliminated. And the documentation has
been updated to say that sequence alignments from structure.sequence_alignment will be used for
superimposing the structures.

Updates for the Structure.test_sequence_alignment_molecules system test.

This is required due to the changes in the backend of the structure.sequence_alignment user
function.

Updates for the structure.sequence_alignment user function.

This is for the changes to the lib.structure.internal.coordinates.assemble_atomic_coordinates()
function return values. The new object ID, model, and molecule flat lists are used directly for
storing the alignment results in the relax data store.

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
each list element corresponding to a different structural model. This will be very useful for
converting from the complicated pipes, models, and molecules user function arguments into relax data
store independent flat lists.

Implemented the data store Sequence_alignments.from_xml() method.

This method is required for being able to read RelaxListType objects from the XML file.

Fixes for handling the sequence_alignments data store object.

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
XML save and results files.