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SVN archive Commit Log


Commit Date  
[r17006] by bugman

Lots of fixes for the model-free system tests.

2012-06-20 13:40:00 Tree
[r17005] by bugman

Bug fix - the spin_id arg for the relax_data.read user function now actually does something.

This argument is passed into the pack_data() function, where it is used to match against the spins
matching each file line. Only if there is a match, is the relaxation data loaded for that spin.

2012-06-20 13:35:50 Tree
[r17004] by bugman

The return_spin_from_selection() function now lists all matching spins in RelaxMultiSpinIDError.

2012-06-20 12:16:38 Tree
[r17003] by bugman

Fix for the return_spin_from_selection() function for a bug introduced in the last commit.

2012-06-20 12:05:04 Tree
[r17002] by bugman

The return_spin() and return_spin_from_selection() functions can now handle multiple spins.

It the 'multi' flag is supplied, then lists of spins (and associated data) will be returned, rather
than a RelaxMultiSpinIDError error raised.

2012-06-20 12:00:55 Tree
[r17001] by bugman

Created the list_to_text() RelaxError system function for prettifying the output of RelaxMultiSpinIDError.

2012-06-20 11:35:46 Tree
[r17000] by bugman

Expanded RelaxMultiSpinIDError to be able to print out a list of all the matching spin Ids.

2012-06-20 09:26:25 Tree
[r16999] by bugman

Merged revisions 16998 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

........
r16998 | bugman | 2012-06-20 11:19:32 +0200 (Wed, 20 Jun 2012) | 3 lines

Update and clean up of the model-free LaTeX table generation script.
........

2012-06-20 09:20:13 Tree
[r16998] by bugman

Update and clean up of the model-free LaTeX table generation script.

2012-06-20 09:19:32 Tree
[r16997] by bugman

Improvements for the MoleculeContainer backwards compatibility hook for the creation of proton spins.

The proton element and isotope type is now set to 'H' and '1H' respectively. This now means that
the old XML files require less work by the user to convert to the new interatomic data design.

2012-06-20 09:13:14 Tree
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