Author: bugman Date: Sun Sep 14 14:56:40 2014 New Revision: 25829 URL: http://svn.gna.org/viewcvs/relax?rev=25829&view=rev Log: Created the frame_order.count_sobol_points user function. This is simply a frontend to the new specific_analyses.frame_order.optimisation.count_sobol_points() function. Modified: branches/frame_order_cleanup/user_functions/frame_order.py Modified: branches/frame_order_cleanup/user_functions/frame_order.py URL: http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/user_functions/frame_order.py?rev=25829&r1=25828&r2=25829&view=diff ============================================================================== --- branches/frame_order_cleanup/user_functions/frame_order.py (original) +++ branches/frame_order_cleanup/user_functions/frame_order.py Sun Sep 14 14:56:40 2014 @@ -24,6 +24,7 @@ # relax module imports. from graphics import WIZARD_IMAGE_PATH +from specific_analyses.frame_order.optimisation import count_sobol_points from specific_analyses.frame_order.uf import num_int_pts, pdb_model, permute_axes, pivot, ref_domain, select_model from specific_analyses.frame_order.variables import MODEL_DOUBLE_ROTOR, MODEL_FREE_ROTOR, MODEL_ISO_CONE, MODEL_ISO_CONE_FREE_ROTOR, MODEL_ISO_CONE_TORSIONLESS, MODEL_PSEUDO_ELLIPSE, MODEL_PSEUDO_ELLIPSE_FREE_ROTOR, MODEL_PSEUDO_ELLIPSE_TORSIONLESS, MODEL_RIGID, MODEL_ROTOR from user_functions.data import Uf_info; uf_info = Uf_info() @@ -36,6 +37,20 @@ uf_class.title = "Class containing the user functions of the Frame Order theories." uf_class.menu_text = "&frame_order" uf_class.gui_icon = "relax.frame_order" + + +# The frame_order.count_sobol_points user function. +uf = uf_info.add_uf('frame_order.count_sobol_points') +uf.title = "Count the number of Sobol' points used for the current parameter values." +uf.title_short = "Used Sobol' point count." +# Description. +uf.desc.append(Desc_container()) +uf.desc[-1].add_paragraph("This allows the number of Sobol' integration points used during the Frame Order target function optimisation to be counted. This uses the current parameter values to determine how many are used for the PCS calculation compared to the total number.") +uf.backend = count_sobol_points +uf.menu_text = "&count_sobol_points" +uf.gui_icon = "oxygen.categories.applications-education" +uf.wizard_size = (800, 400) +uf.wizard_image = WIZARD_IMAGE_PATH + 'frame_order.png' # The frame_order.pdb_model user function.