A huge piece of work, but I think worthwhile for the additional
flexibilty and the opportunity to steamline the code base. I'm certainly
happy to help. Specific comments on aspects of the proposal will
follow...
Chris
On Wed, 2006-10-11 at 19:11 +1000, Edward d'Auvergne wrote:
4. Conclusion
This proposal will significantly change how relax operates. To start
with, the modifications will render the 1.3 repository line completely
dysfunctional. As the changes are so extensive, it may take a while for
relax to migrate to this new data model and for the 1.3 line to
stabilise. All suggestions relating to this proposal would be greatly
appreciated. And if anyone could help in the coding to accelerate the
migration process, that too would be much appreciated :) The migration
could occur as a sweeping process, each file being migrated one at a
time. Bugs are highly likely to be encountered and these can be
reported to relax bug tracker to be fixed in both the 1.2 and 1.3 lines.
The following is a summary of the proposal.
The run concept is to be significantly simplified, function more like
pipes, and everything renamed to 'pipes' rather than 'runs'.
Molecule level:
Data name:
data.mol[0]
User function class:
molecule
Identifiers (function arguments):
1. mol_num # NMR model number.
2. mol_name # Chain or segment ID.
Data structures:
1. data.mol[0].num
2. data.mol[0].name
Residue level:
Data name:
data.mol[0].res[0]
User function class:
sequence
Identifiers (function arguments):
1. res_num
2. res_name
Data structures:
1. data.mol[0].res[0].num
2. data.mol[0].res[0].name
Spin level:
Data name:
data.mol[0].res[0].spin[0]
User function class:
spin
Identifiers (function arguments):
1. atom_num
2. atom_name
Data structures:
1. data.mol[0].res[0].spin[0].num
2. data.mol[0].res[0].spin[0].name
_______________________________________________
relax (http://nmr-relax.com)
This is the relax-devel mailing list
relax-devel@xxxxxxx
To unsubscribe from this list, get a password
reminder, or change your subscription options,
visit the list information page at
https://mail.gna.org/listinfo/relax-devel
Re: Redesign of the relax data model: 4. Conclusion