Author: bugman Date: Fri Oct 11 15:11:19 2013 New Revision: 21073 URL: http://svn.gna.org/viewcvs/relax?rev=21073&view=rev Log: Added the 'MQ NS CPMG 2-site' model to the GUI model list. This is the 2-site numeric solution for multi-quantum CPMG-type data. This follows the tutorial for adding relaxation dispersion models at: http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax#The_GUI. Modified: branches/relax_disp/gui/analyses/auto_relax_disp.py Modified: branches/relax_disp/gui/analyses/auto_relax_disp.py URL: http://svn.gna.org/viewcvs/relax/branches/relax_disp/gui/analyses/auto_relax_disp.py?rev=21073&r1=21072&r2=21073&view=diff ============================================================================== --- branches/relax_disp/gui/analyses/auto_relax_disp.py (original) +++ branches/relax_disp/gui/analyses/auto_relax_disp.py Fri Oct 11 15:11:19 2013 @@ -44,11 +44,11 @@ from gui.string_conv import gui_to_bool, gui_to_int, gui_to_str, str_to_gui from gui.uf_objects import Uf_storage; uf_store = Uf_storage() from gui.wizards.peak_intensity import Peak_intensity_wizard -from lib.text.gui import dw, i0, kex, padw2, phi_ex, phi_exB, phi_exC, r1, r1rho, r1rho_prime, r2, r2a, r2b, r2eff +from lib.text.gui import dw, dwH, i0, kex, padw2, phi_ex, phi_exB, phi_exC, r1, r1rho, r1rho_prime, r2, r2a, r2b, r2eff from pipe_control.mol_res_spin import exists_mol_res_spin_data, spin_loop from pipe_control.pipes import has_bundle, has_pipe from specific_analyses.relax_disp.disp_data import has_cpmg_exp_type, has_r1rho_exp_type -from specific_analyses.relax_disp.variables import MODEL_CR72, MODEL_CR72_FULL, MODEL_DPL94, MODEL_IT99, MODEL_LIST_CPMG, MODEL_LIST_R1RHO, MODEL_LM63, MODEL_LM63_3SITE, MODEL_M61, MODEL_M61B, MODEL_NOREX, MODEL_NS_CPMG_2SITE_3D, MODEL_NS_CPMG_2SITE_3D_FULL, MODEL_NS_CPMG_2SITE_EXPANDED, MODEL_NS_CPMG_2SITE_STAR, MODEL_NS_CPMG_2SITE_STAR_FULL, MODEL_NS_R1RHO_2SITE, MODEL_R2EFF, MODEL_TP02, MODEL_TSMFK01 +from specific_analyses.relax_disp.variables import MODEL_CR72, MODEL_CR72_FULL, MODEL_DPL94, MODEL_IT99, MODEL_LIST_CPMG, MODEL_LIST_R1RHO, MODEL_LM63, MODEL_LM63_3SITE, MODEL_M61, MODEL_M61B, MODEL_MQ_NS_CPMG_2SITE, MODEL_NOREX, MODEL_NS_CPMG_2SITE_3D, MODEL_NS_CPMG_2SITE_3D_FULL, MODEL_NS_CPMG_2SITE_EXPANDED, MODEL_NS_CPMG_2SITE_STAR, MODEL_NS_CPMG_2SITE_STAR_FULL, MODEL_NS_R1RHO_2SITE, MODEL_R2EFF, MODEL_TP02, MODEL_TSMFK01 from status import Status; status = Status() @@ -669,7 +669,9 @@ MODEL_M61B, MODEL_DPL94, MODEL_TP02, - MODEL_NS_R1RHO_2SITE + MODEL_NS_R1RHO_2SITE, + None, + MODEL_MQ_NS_CPMG_2SITE ] params = [ "{%s/%s, %s}" % (r2eff, r1rho, i0), @@ -692,7 +694,9 @@ "{%s, ..., pA, %s, %s}" % (r1rho_prime, dw, kex), "{%s, ..., %s, %s}" % (r1rho_prime, phi_ex, kex), "{%s, ..., pA, %s, %s}" % (r1rho_prime, dw, kex), - "{%s, ..., pA, %s, %s}" % (r1rho_prime, dw, kex) + "{%s, ..., pA, %s, %s}" % (r1rho_prime, dw, kex), + None, + "{%s, ..., pA, %s, %s, %s}" % (r2, dw, dwH, kex), ] model_desc = [ "The base model for determining the %s/%s values and errors for all other models." % (r2eff, r1rho), @@ -715,7 +719,9 @@ "The Meiboom (1961) 2-site equation for all time scales with pA >> pB.", "The Davis, Perlman and London (1994) 2-site fast exchange equation.", "The Trott and Palmer (2002) 2-site equation for all time scales.", - "The 2-site numerical solution using 3D magnetisation vectors." + "The 2-site numerical solution using 3D magnetisation vectors.", + None, + "The 2-site numerical solution of Korzhnev et al. (2004) from multi-quantum CPMG data." ] tooltip = "The list of all relaxation dispersion models to be optimised as part of the protocol." tooltip_button = "Open the model list selector window."