Commit | Date | |
---|---|---|
[r17132]
by
bugman
The generic_fns.mol_res_spin.index_molecule() function now handles no molecule name given. If no name is given and only a single molecule is in the current data pipe, then the index of 0 will |
2012-07-02 15:52:48 | Tree |
[r17131]
by
bugman
The sequence.attach_protons user function now ignores spins with pre-existing attached protons. |
2012-07-02 15:35:38 | Tree |
[r17130]
by
bugman
Fixes for the model-free analysis bmrb_write() method for the interatomic data design. |
2012-07-02 15:19:13 | Tree |
[r17129]
by
bugman
Fixes for the relaxation data bmrb_write() function for the interatomic data design. |
2012-07-02 15:18:45 | Tree |
[r17128]
by
bugman
Improvement for the generic_fns.interatomic.return_interatom_list() function. The spin ID matching is now through the id_match() function, allowing unique but different spin IDs |
2012-07-02 15:17:51 | Tree |
[r17127]
by
bugman
Fix for the model-free back-calculation of relaxation data for the interatomic data design. The overfit_deselect() method needs to be called to deselect the proton spin containers. |
2012-07-02 13:33:56 | Tree |
2012-07-02 13:33:11 | Tree | |
[r17125]
by
bugman
Bug fix for the generic_fns.interatomic.copy() function for when no interatomic data exists. This now returns without doing anything rather than raising a RelaxError. |
2012-07-02 13:02:34 | Tree |
[r17124]
by
bugman
Fix for the model-free analysis _assemble_param_vector() method for the new interatomic data design. The proton spins with no parameters must be skipped. |
2012-07-02 12:30:51 | Tree |
[r17123]
by
bugman
Updated the Modsel.test_aic_mod_sel_diff_tensor() system test of the interatomic data design. |
2012-07-02 12:29:44 | Tree |