Commit | Date | |
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[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 |
[r26339]
by
bugman
Bug fix for the lib.arg_check.is_float_matrix() function. The check for a numpy.ndarray data structure type was incorrect so that lists of numpy arrays were |
2014-10-22 09:36:57 | Tree |
[r26338]
by
bugman
Clean up and speed up of the N_state_model.test_CaM_IQ_tensor_fit system test. All output files are now set to 'devnull' so that the system test no longer creates any files within |
2014-10-22 09:02:30 | Tree |
[r26337]
by
bugman
The structure.load_spins user function now stores the number of states in cdp.N. This is to help the specific analyses which handle ensembles of structures. With the introduction |
2014-10-22 08:47:48 | Tree |
[r26336]
by
bugman
Fix for the atomic position handling in pipe_control.structure.main.load_spins_multi_mol(). The dimensionality of the position structure returned by the structural object atom_loop() method |
2014-10-22 08:21:18 | Tree |
[r26335]
by
bugman
Modified the interatom.unit_vectors user function backend to handle missing atomic positions. This is to match the structure.load_spins user function change whereby missing atomic positions are |
2014-10-22 08:08:50 | Tree |