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SVN archive Commit Log


Commit Date  
[r15034] by bugman

Some initial fixes for the back calculation code for the Monte Carlo simulations.

This still requires a complete rewriting to handle RDCs and PCSs as the base data types rather than
tensors.

2011-12-05 17:14:39 Tree
[r15033] by bugman

Fixes for the frame order target function for RDC data.

This code which uses the original RDC values now functions as before with the full and reduced
tensor input!

2011-12-05 17:02:17 Tree
[r15032] by bugman

The RDC and PCS data is now only taken for the moving domain in the frame order analysis.

2011-12-05 15:52:52 Tree
[r15031] by bugman

Fix for the frame_order.ref_domain user function for a bug introduced in the last revision.

2011-12-05 15:02:15 Tree
[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
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