relax SVN archive

Merged revisions 16959 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

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r16959 | bugman | 2012-06-19 16:06:30 +0200 (Tue, 19 Jun 2012) | 5 lines

Created the generic_fns.mol_res_spin.return_spin_indices() function to return the index triplet.

This allows a spin ID to be converted into the molecule, residue and spin indices.
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Created the generic_fns.mol_res_spin.return_spin_indices() function to return the index triplet.

This allows a spin ID to be converted into the molecule, residue and spin indices.

Merged revisions 16957 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

........
r16957 | bugman | 2012-06-19 14:55:38 +0200 (Tue, 19 Jun 2012) | 3 lines

The generate_spin_id() function now choses to use the spin name instead of number by default.
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The generate_spin_id() function now choses to use the spin name instead of number by default.

Fixes for the model-free support of the interatomic data container design.

Expanded the functionality of the generic_fns.interatomic module.

The copy() and exists_data() functions have been added to copy all interatomic data from one data
pipe to another and to check if interatomic data exists within a data pipe respectively. The
create_interatom() function now also accepts a 'pipe' argument so that non-current pipes can be
used.

Created the RelaxInteratomError and RelaxNoInteratomError classes for interatomic data errors.

The model-free analysis is now fully using the new interatomic data container design.

The interatomic data container now has the dipole_pair flag initialised to False.

Started to convert the model-free analysis code to the new interatomic data container design.