Commit | Date | |
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[r26349]
by
bugman
Added a printout of the frame order model in the target function setup function. This is printed out when the minimise.calculate, minimise.grid_search, or minimise.execute user |
2014-10-22 13:22:03 | Tree |
[r26348]
by
bugman
Implemented the spin_selection Boolean argument for the interatom.define user function. This has been added to the frontend with a description, and to the backend. When set, it allows the |
2014-10-22 12:52:21 | Tree |
[r26347]
by
bugman
Modified the N_state_model.test_CaM_IQ_tensor_fit system/GUI test for implementing a new feature. The 'spin_selection' argument has been added to the interatom.define user function. This will be |
2014-10-22 12:37:25 | Tree |
[r26346]
by
bugman
Updated the N_state_model.test_CaM_IQ_tensor_fit system test so it operates correctly as a GUI test. All user functions are now executed through the special self._execute_uf() method to allow either |
2014-10-22 12:34:35 | Tree |
[r26345]
by
bugman
The verbosity argument for the N-state model optimisation is now propagated for more printouts. The argument for the calculate() and minimise() API methods is now sent into |
2014-10-22 12:26:17 | Tree |
[r26344]
by
bugman
Added printouts to pipe_control.pcs.return_pcs_data() and pipe_control.rdc.return_rdc_data(). These functions now accept the verbosity argument which if greater than 0 will activate printouts of |
2014-10-22 12:22:11 | Tree |
[r26343]
by
bugman
Speed up of the N_state_model.test_CaM_IQ_tensor_fit system test. This test is however still far too slow. |
2014-10-22 12:01:58 | Tree |
[r26342]
by
bugman
Added spacing after the minimise.grid_search user function setup printouts. This is for better spacing for the next messages from the specific analysis. |
2014-10-22 12:00:50 | Tree |
[r26341]
by
bugman
Lists of lists containing rows of None are now better supported by the lib.xml functions. The object_to_xml() function will now convert the float parts to IEEE-754 byte arrays, and the None |
2014-10-22 09:44:55 | Tree |
[r26340]
by
bugman
Expanded the lib.arg_check.is_float_matrix() function by adding the none_elements argument. This matches a number of the other module functions, and allows for entire rows of the matrix to be |
2014-10-22 09:38:09 | Tree |