Commit | Date | |
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[r11157]
by
bugman
Implemented dfunc_tensor_opt() and d2func_tensor_opt() allowing all optimisation algorithms to be used. The 'fixed' N-state model can now be optimised using Newton optimisation. On my machine, the |
2010-04-27 16:15:55 | Tree |
[r11156]
by
bugman
Forked the test_lactose_n_state() system test for both the 'population' and 'fixed' models. The 2 new system tests are test_lactose_n_state_fixed() and test_lactose_n_state_population(). |
2010-04-27 16:03:40 | Tree |
2010-04-27 15:59:14 | Tree | |
[r11154]
by
bugman
The n_state_model.select_model() user function can now change the model. Previously a RelaxError was thrown, but now a warning is given that the model is changing. This |
2010-04-27 15:58:00 | Tree |
[r11153]
by
bugman
Big bug fixes for the _minimise_setup_pcs() and _minimise_setup_rdcs() methods. This allows the missing data PCS and RDC optimisation system test to pass. Many problems were |
2010-04-27 15:55:04 | Tree |
[r11152]
by
bugman
Bug fix for the __det_pdb_element() method. RNA PDB files with missing element information is now handled properly. The stripping of the "'" |
2010-04-27 15:45:01 | Tree |
2010-04-27 15:35:45 | Tree | |
2010-04-27 15:30:47 | Tree | |
[r11149]
by
bugman
Modified the dna_pcs_fit.py N-state model system test script to use the truncated PDB file. This speeds the system test up by orders of magnitude. |
2010-04-27 15:05:09 | Tree |
[r11148]
by
bugman
Created a truncated version of the LE.pdb file for the RDC and PCS system tests. This contains just the atoms for PCS and RDCs, and will significantly speed up the tests. |
2010-04-27 14:22:01 | Tree |