r18750 - /trunk/generic_fns/mol_res_spin.py -- March 11, 2013 - 10:47

Author: bugman
Date: Mon Mar 11 10:47:48 2013
New Revision: 18750

URL: http://svn.gna.org/viewcvs/relax?rev=18750&view=rev
Log:
Large cleanup and bugfixes for the molecule, residue, and spin data structure 
metadata maintenance.

The bugs fixed are important for non-protein molecules.  For example is the 
spin name is not unique
per residue, or per molecule if no residues are defined, many parts of relax 
would fail.

All of the metadata_*() and spin_id_variants*() functions have been 
redesigned.  It was also
identified that metadata_prune() was being used by different parts of relax 
for two different
purposes - the removal or pruning of metadata prior to the deletion of a data 
structure and the
clean up of no longer valid metadata.  These two goals conflicted resulting 
in unpredictable
behaviour.  Therefore the new metadata_cleanup() and 
spin_id_variants_cleanup() functions have been
created and the two behaviours separated.


Modified:
    trunk/generic_fns/mol_res_spin.py

[This mail would be too long, it was shortened to contain the URLs only.]

Modified: trunk/generic_fns/mol_res_spin.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/generic_fns/mol_res_spin.py?rev=18750&r1=18749&r2=18750&view=diff