Author: bugman Date: Tue Oct 15 19:51:52 2013 New Revision: 21129 URL: http://svn.gna.org/viewcvs/relax?rev=21129&view=rev Log: Added the 'MQ CR72' model to the GUI model list. This is the Carver and Richards (1972) 2-site model expanded for MQ CPMG data by Korzhnev et al., 2004. 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=21129&r1=21128&r2=21129&view=diff ============================================================================== --- branches/relax_disp/gui/analyses/auto_relax_disp.py (original) +++ branches/relax_disp/gui/analyses/auto_relax_disp.py Tue Oct 15 19:51:52 2013 @@ -48,7 +48,7 @@ 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_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 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_CR72, 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() @@ -671,6 +671,7 @@ MODEL_TP02, MODEL_NS_R1RHO_2SITE, None, + MODEL_MQ_CR72, MODEL_MQ_NS_CPMG_2SITE ] params = [ @@ -697,6 +698,7 @@ "{%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) ] model_desc = [ "The base model for determining the %s/%s values and errors for all other models." % (r2eff, r1rho), @@ -721,6 +723,7 @@ "The Trott and Palmer (2002) 2-site equation for all time scales.", "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." ] tooltip = "The list of all relaxation dispersion models to be optimised as part of the protocol."