Author: bugman Date: Tue Dec 3 17:44:43 2013 New Revision: 21758 URL: http://svn.gna.org/viewcvs/relax?rev=21758&view=rev Log: Added the 'NS MMQ 3-site' models to the GUI model list. This is for the 'NS MMQ 3-site' and 'NS MMQ 3-site linear' CPMG dispersion models. 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: trunk/gui/analyses/auto_relax_disp.py Modified: trunk/gui/analyses/auto_relax_disp.py URL: http://svn.gna.org/viewcvs/relax/trunk/gui/analyses/auto_relax_disp.py?rev=21758&r1=21757&r2=21758&view=diff ============================================================================== --- trunk/gui/analyses/auto_relax_disp.py (original) +++ trunk/gui/analyses/auto_relax_disp.py Tue Dec 3 17:44:43 2013 @@ -44,11 +44,11 @@ from gui.string_conv import float_to_gui, gui_to_bool, gui_to_float, 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, dwH, i0, kex, padw2, phi_ex, phi_exB, phi_exC, r1, r1rho, r1rho_prime, r2, r2a, r2b, r2eff +from lib.text.gui import dw, dw_AB, dw_BC, dwH, dwH_AB, dwH_BC, i0, kex, kAB, kBC, kAC, 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_MMQ_2SITE, MODEL_MP05, MODEL_MQ_CR72, 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_TAP03, 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_MMQ_2SITE, MODEL_MP05, MODEL_MQ_CR72, 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_MMQ_3SITE, MODEL_NS_MMQ_3SITE_LINEAR, MODEL_NS_R1RHO_2SITE, MODEL_R2EFF, MODEL_TAP03, MODEL_TP02, MODEL_TSMFK01 from status import Status; status = Status() @@ -733,7 +733,9 @@ MODEL_NS_R1RHO_2SITE, None, MODEL_MQ_CR72, - MODEL_MMQ_2SITE + MODEL_MMQ_2SITE, + MODEL_NS_MMQ_3SITE_LINEAR, + MODEL_NS_MMQ_3SITE ] params = [ "{%s/%s, %s}" % (r2eff, r1rho, i0), @@ -761,7 +763,9 @@ "{%s, ..., pA, %s, %s}" % (r1rho_prime, dw, kex), None, "{%s, ..., pA, %s, %s, %s}" % (r2, dw, dwH, kex), - "{%s, ..., pA, %s, %s, %s}" % (r2, dw, dwH, kex) + "{%s, ..., pA, %s, %s, %s}" % (r2, dw, dwH, kex), + "{%s, ..., pA, %s, %s, %s, pB, %s, %s, %s}" % (r2, dw_AB, dwH_AB, kAB, dw_BC, dwH_BC, kBC), + "{%s, ..., pA, %s, %s, %s, pB, %s, %s, %s, %s}" % (r2, dw_AB, dwH_AB, kAB, dw_BC, dwH_BC, kBC, kAC) ] model_desc = [ "The base model for determining the %s/%s values and errors for all other models." % (r2eff, r1rho), @@ -789,7 +793,9 @@ "The 2-site numerical solution using 3D magnetisation vectors.", None, "The CR72 2-site model extended to MQ CPMG data by Korzhnev et al., 2004.", - "The 2-site numerical solution of Korzhnev et al. (2004) from multi-quantum CPMG data." + "The 2-site numerical solution of Korzhnev et al. (2004) from multi-quantum CPMG data.", + "The 3-site linearised numerical solution of Korzhnev et al. (2005) for MMQ CPMG data.", + "The 3-site numerical solution of Korzhnev et al. (2005) for MMQ CPMG data." ] size = wx.Size(1024, 750) tooltip = "The list of all relaxation dispersion models to be optimised as part of the protocol."