name = "create_par_file", default = False, py_type = "bool", desc_short = "creation of file with parameter and calculated chi2", desc = "A flag specifying whether to create a file with parameters and associated chi2 value. The default of False causes the file not to be created." ) # Description. uf.desc.append(Desc_container()) uf.desc[-1].add_paragraph("This will map the space corresponding to the spin identifier and create the OpenDX files. The map type can be changed to one of the following supported map types:") table = uf_tables.add_table(label="table: opendx map", caption="OpenDx mapping types.") table.add_headings(["Surface type", "Name"]) table.add_row(["3D isosurface", "'Iso3D'"]) uf.desc[-1].add_table(table.label) # Additional. uf.desc.append(model_free_params.uf_doc(label="table: all model-free parameters")) uf.desc.append(n_state_params.uf_doc(label="table: N-state parameters")) uf.desc.append(relax_disp_params.uf_doc(label="table: dispersion parameters")) uf.desc.append(frame_order_params.uf_doc(label="table: frame order parameters")) # Prompt examples. uf.desc.append(Desc_container("Prompt examples")) uf.desc[-1].add_paragraph("The following commands will generate a map of the extended model-free space for model 'm5' consisting of the parameters {S2, S2f, ts}. Files will be output into the directory 'dx' and will be prefixed by 'map'. In this case, the system is a protein and residue number 6 will be mapped.") uf.desc[-1].add_prompt("relax> dx.map(['s2', 's2f', 'ts'], spin_id=':6')") uf.desc[-1].add_prompt("relax> dx.map(['s2', 's2f', 'ts'], spin_id=':6', file_prefix='map', dir='dx')") uf.desc[-1].add_prompt("relax> dx.map(params=['s2', 's2f', 'ts'], spin_id=':6', inc=20, file_prefix='map', dir='dx')") uf.desc[-1].add_prompt("relax> dx.map(params=['s2', 's2f', 'ts'], spin_id=':6', map_type='Iso3D', inc=20, file_prefix='map', dir='dx')") uf.desc[-1].add_paragraph("To map the model-free space 'm4' for residue 2, spin N6 defined by the parameters {S2, te, Rex}, name the results 'test', and to place the files in the current directory, use one of the following commands:") uf.desc[-1].add_prompt("relax> dx.map(['s2', 'te', 'rex'], spin_id=':2@N6', file_prefix='test', dir=None)") uf.desc[-1].add_prompt("relax> dx.map(params=['s2', 'te', 'rex'], spin_id=':2@N6', inc=100, file_prefix='test', dir=None)") uf.backend = map uf.menu_text = "&map" uf.gui_icon = "relax.grid_search"
uf.add_keyarg( name = "force", default = False, basic_types = ["bool"], desc_short = "force flag", desc = "A flag which, if set to True, will cause the destination parameter to be overwritten." ) # Description. uf.desc.append(Desc_container()) uf.desc[-1].add_paragraph("If this is used to change values of previously minimised parameters, then the minimisation statistics (chi-squared value, iteration count, function count, gradient count, and Hessian count) will be reset.") # Prompt examples. uf.desc.append(relax_fit_params.uf_doc(label="table: curve-fit parameter value setting")) uf.desc.append(model_free_params.uf_doc(label="table: model-free parameter value setting")) uf.desc.append(jw_mapping_params.uf_doc(label="table: J(w) parameter value setting")) uf.desc.append(consistency_test_params.uf_doc(label="table: consistency testing parameter value setting")) uf.desc.append(n_state_params.uf_doc(label="table: N-state parameter value setting")) uf.desc.append(relax_disp_params.uf_doc(label="table: dispersion parameter value setting")) uf.desc.append(frame_order_params.uf_doc(label="table: frame order parameters")) uf.desc.append(Desc_container("Prompt examples")) uf.desc[-1].add_paragraph("To copy the CSA values from the data pipe 'm1' to 'm2', type:") uf.desc[-1].add_prompt("relax> value.copy('m1', 'm2', 'csa')") uf.backend = value.copy uf.menu_text = "©" uf.gui_icon = "oxygen.actions.list-add" uf.wizard_height_desc = 500 uf.wizard_size = (1000, 750) uf.wizard_image = WIZARD_IMAGE_PATH + 'value' + sep + 'value.png' # The value.display user function. uf = uf_info.add_uf('value.display')
default=False, py_type="bool", desc_short="force flag", desc="A flag which, if set to True, will cause the destination parameter to be overwritten.", ) # Description. uf.desc.append(Desc_container()) uf.desc[-1].add_paragraph( "If this is used to change values of previously minimised parameters, then the minimisation statistics (chi-squared value, iteration count, function count, gradient count, and Hessian count) will be reset." ) # Prompt examples. uf.desc.append(relax_fit_params.uf_doc(label="table: curve-fit parameter value setting")) uf.desc.append(model_free_params.uf_doc(label="table: model-free parameter value setting")) uf.desc.append(jw_mapping_params.uf_doc(label="table: J(w) parameter value setting")) uf.desc.append(consistency_test_params.uf_doc(label="table: consistency testing parameter value setting")) uf.desc.append(n_state_params.uf_doc(label="table: N-state parameter value setting")) uf.desc.append(relax_disp_params.uf_doc(label="table: dispersion parameter value setting")) uf.desc.append(frame_order_params.uf_doc(label="table: frame order parameters")) uf.desc.append(Desc_container("Prompt examples")) uf.desc[-1].add_paragraph("To copy the CSA values from the data pipe 'm1' to 'm2', type:") uf.desc[-1].add_prompt("relax> value.copy('m1', 'm2', 'csa')") uf.backend = value.copy uf.menu_text = "©" uf.gui_icon = "oxygen.actions.list-add" uf.wizard_height_desc = 500 uf.wizard_size = (1000, 750) uf.wizard_image = WIZARD_IMAGE_PATH + "value" + sep + "value.png" # The value.display user function. uf = uf_info.add_uf("value.display")