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SVN archive Commit Log


Commit Date  
[r15030] by bugman

The frame_order.ref_domain user function now also checks that the domain is defined.

2011-12-05 14:58:20 Tree
[r15029] by bugman

The align_tensor.init user function now checks that the domain has been defined.

2011-12-05 14:55:30 Tree
[r15028] by bugman

Created the domain user function back end.

This simply stores the data for later use.

2011-12-05 14:52:45 Tree
[r15027] by bugman

Created the prompt/script front end for the domain user function.

2011-12-05 14:47:19 Tree
[r15026] by bugman

Removal of the spin_id arg from the align_tensor.set_domain user function.

A new approach will be soon used with a generic 'domain' user function for defining multiple
structural domains. The r15021 of generic_fns/align_tensor.py was reverted, but the prompt code was
directly deleted instead due to the change of the code to the new user function design.

2011-12-05 14:20:53 Tree
[r15025] by bugman

Fix for the calculate method for the frame order theory for the new base data design.

2011-12-05 13:40:21 Tree
[r15024] by bugman

Renamed some of the N-state model variables to match the frame order theory and clarify the meaning.

2011-12-05 13:14:52 Tree
[r15023] by bugman

Started to convert the frame order analysis to match the N-state model analysis.

This is to support the use of RDCs, PCSs, and PREs as the base data for the frame order theory
rather than the full and reduced tensors.

2011-12-05 13:14:04 Tree
[r15022] by bugman

Redesigned the frame order specific minimisation code to be more like the N-state model.

This now assembles RDC and PCS data and passes it to the target function initialisation. The
following new methods have been added:
_assemble_scaling_matrix()
_base_data_types()
_minimise_setup_pcs()
_minimise_setup_rdcs()
_param_num()
_target_fn_setup()

2011-12-02 16:02:09 Tree
[r15021] by bugman

Added the spin_id argument to the align_tensor.set_domain user function.

This is to allow the spins of the domain to be specified.

2011-12-02 12:14:46 Tree
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