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Commit Date  
[r16962] by bugman

Added a check to the model-free overfit_deselect() to see if a relaxation mechanism is present.

2012-06-19 14:25:34 Tree
[r16961] by bugman

Fix for the model-free duplicate_data() method for interatomic data.

This is used by the model_selection user function. The problem was that no proton spins where being
copied as previously there were no proton spins in a model-free analysis. This spins are now needed
to define the dipolar relaxation mechanism.

2012-06-19 14:21:59 Tree
[r16960] by bugman

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

........
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.
........

2012-06-19 14:06:57 Tree
[r16959] by bugman

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.

2012-06-19 14:06:30 Tree
[r16958] by bugman

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.
........

2012-06-19 12:55:59 Tree
[r16957] by bugman

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

2012-06-19 12:55:38 Tree
[r16956] by bugman

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

2012-06-19 12:18:15 Tree
[r16955] by bugman

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.

2012-06-19 12:12:23 Tree
[r16954] by bugman

Created the RelaxInteratomError and RelaxNoInteratomError classes for interatomic data errors.

2012-06-19 12:10:20 Tree
[r16953] by bugman

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

2012-06-19 10:58:44 Tree
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