Trusted, Bureaucrats
4,228
edits
Changes
m
Link fixes.
* Deletion of the pipe_control.structure.main.create_cone_pdb() function. This is only used in the frame order analysis, but has been made redundant by the lib.structure.represent.cone.cone() function.
* Completed the [http://www.nmr-relax.com/manual/frame_order_pdb_model.html frame_order.pdb_model user function] backend for the frame order PDB representation. Most of this backend, including the axes and cone representations, had been broken for quite a while and were being skipped with an early return statement. This has now been made functional and a few fixes have been made. For the 'rotor' and 'free rotor' model, the neg_cone argument is now ignored so that only one model is produced in the final frame order PDB representation file. For all other models, the rotor representation is no longer centred to the point on axis closest to the centre of mass, as the pivot is unambiguously defined. The rotor representation has also been made larger in these models so that it is outside of the cone, and the propeller blades are now staggered.
* Modified py_type from "list" to "float_array" in uf_object type in [user function http://www.nmr-relax.com/manual/dx_map.html user function dx.map]. [https://gna.org/bugs/?22035 Bug #22035 The dx.map user function is broken in the GUI].
* Added py_type "list_val_or_list_of_list_val" to be handled in GUI uf_objects. [https://gna.org/bugs/?22035 Bug #22035 The dx.map user function is broken in the GUI].
* Modified the frame order constraints so that cone<sub>θ<sub>x</sub></sub> ≤ cone<sub>θ<sub>y</sub></sub>. The linear_constraints() function docstring has been updated to include this constraint.
* Set dim=4 when setting chi surface level in [user function http://www.nmr-relax.com/manual/dx_map.html user function dx.map].
* Fix for the [http://www.nmr-relax.com/manual/n_state_model_cone_pdb.html n_state_model.cone_pdb user function] for the recent internal structural object changes. The cone arguments should now be called cone_obj.
* Renamed the [http://www.nmr-relax.com/manual/relax_disp_set_grid_r20_from_min_r2eff.html relax_disp.set_grid_r20_from_min_r2eff user function] to [http://www.nmr-relax.com/manual/relax_disp_r20_from_min_r2eff.html relax_disp.r20_from_min_r2eff]. This follows from the proposal at http://thread.gmane.org/gmane.science.nmr.relax.devel/5957.
* Created the User_functions.test_structure_rotate GUI tests. This is to catch [https://gna.org/bugs/?22100 bug #22100, the rotation argument for the structure.rotate user function cannot be changed in the GUI, as an AttributeError is raised].
* Moved py_type "list_val_or_list_of_list_val" to 2D sequence types.
* Added dim dimensions to match the {x, y, z} positions for GUI input in [user function http://www.nmr-relax.com/manual/dx_map.html user function dx.map].
* Modified the User_functions.test_structure_rotate GUI test to change and check the rotation matrix.
* Some more fixes for the User_functions.test_structure_rotate GUI test. The open_dialog() method cannot be used, as it deletes the window at the end. Instead the selection_win_show() and selection_win_data() method combination is used.
* Expanded the User_functions.test_structure_rotate GUI test. This is to more extensively check the 'float_matrix' user function argument type in the GUI.
* Modified the dim dimensions to (None, 3) to allow the user to change number of points in the GUI. This is for the [user function http://www.nmr-relax.com/manual/dx_map.html user function dx.map].
* Simplified the User_functions GUI tests. The exec_uf_pipe_create() method has been created to simplify the data pipe creation in the tests.
* Expanded the User_functions.test_structure_rotate GUI test. The rotation matrix argument checks for the Sequence_2D GUI element have been expanded to check that setting nothing (blank element) returns nothing (None). The other checks have also been slightly modified.