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")
