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Merged revisions 26332-26333 via svnmerge from

svn+ssh://bugman@.../svn/relax/trunk

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r26332 | bugman | 2014-10-22 08:50:36 +0200 (Wed, 22 Oct 2014) | 9 lines

Created the N_state_model.test_CaM_IQ_tensor_fit system test.

This is for catching bug #22849 (https://gna.org/bugs/?22849), the failure of the N-state model
analysis when optimising only alignment tensors using RDCs and/or PCSs.

This new test checks code paths unchecked in the rest of the test suite, and is therefore of high
value.
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r26333 | bugman | 2014-10-22 09:27:01 +0200 (Wed, 22 Oct 2014) | 10 lines

Final fix for bug #22849 (https://gna.org/bugs/?22849).

This is the failure of the N-state model analysis when optimising only alignment tensors using RDCs
and/or PCSs. The alignment tensor is no longer initialised to zero values. This is to allow the
skip_preset argument for the minimise.grid_search user function to be operational for the N-state
model, a feature introduced with the zooming grid search. The solution was to check for the
uninitialised tensor in the minimise_setup_fixed_tensors() method of the
specific_analyses.n_state_model.optimisation module.
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bugman 2014-10-22

changed /branches/frame_order_cleanup
changed /branches/frame_order_cleanup/specific_analyses/n_state_model/optimisation.py
changed /branches/frame_order_cleanup/test_suite/system_tests/n_state_model.py
copied /trunk/test_suite/shared_data/align_data/CaM_IQ -> /branches/frame_order_cleanup/test_suite/shared_data/align_data/CaM_IQ
copied /trunk/test_suite/shared_data/structures/2BE6_core_I_IV.pdb -> /branches/frame_order_cleanup/test_suite/shared_data/structures/2BE6_core_I_IV.pdb
copied /trunk/test_suite/system_tests/scripts/n_state_model/CaM_IQ_tensor_fit.py -> /branches/frame_order_cleanup/test_suite/system_tests/scripts/n_state_model/CaM_IQ_tensor_fit.py
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