Author: bugman Date: Tue Jul 16 09:58:48 2013 New Revision: 20318 URL: http://svn.gna.org/viewcvs/relax?rev=20318&view=rev Log: Added the 'CR72 red' model to the relax_disp.select_model user function frontend. This is the Carver and Richards 1972 analytic model with the simplification R20A = R20B. The current 'CR72' makes the same assumption, but that model will be expanded to support R20A and R20B later. This commit follows step 2 of the relaxation dispersion model addition tutorial (http://thread.gmane.org/gmane.science.nmr.relax.devel/3907). Modified: branches/relax_disp/user_functions/relax_disp.py Modified: branches/relax_disp/user_functions/relax_disp.py URL: http://svn.gna.org/viewcvs/relax/branches/relax_disp/user_functions/relax_disp.py?rev=20318&r1=20317&r2=20318&view=diff ============================================================================== --- branches/relax_disp/user_functions/relax_disp.py (original) +++ branches/relax_disp/user_functions/relax_disp.py Tue Jul 16 09:58:48 2013 @@ -39,7 +39,7 @@ from specific_analyses.relax_disp.disp_data import cpmg_frq, plot_disp_curves, plot_exp_curves, relax_time, spin_lock_field from specific_analyses.relax_disp.nessy import nessy_input from specific_analyses.relax_disp.sherekhan import sherekhan_input -from specific_analyses.relax_disp.variables import MODEL_CR72, MODEL_DPL94, MODEL_IT99, MODEL_LM63, MODEL_M61, MODEL_M61B, MODEL_NOREX, MODEL_R2EFF, MODEL_NS_2SITE_STAR, MODEL_NS_2SITE_STAR_RED +from specific_analyses.relax_disp.variables import MODEL_CR72, MODEL_CR72_RED, MODEL_DPL94, MODEL_IT99, MODEL_LM63, MODEL_M61, MODEL_M61B, MODEL_NOREX, MODEL_R2EFF, MODEL_NS_2SITE_STAR, MODEL_NS_2SITE_STAR_RED from specific_analyses.setup import relax_disp_obj from user_functions.data import Uf_info; uf_info = Uf_info() from user_functions.objects import Desc_container @@ -440,6 +440,7 @@ "%s: {R2eff/R1rho, I0}" % MODEL_R2EFF, "%s: {R20, ...}" % MODEL_NOREX, "%s: {R20, ..., phi_ex, kex}" % MODEL_LM63, + "%s: {R20, ..., pA, dw, kex}" % MODEL_CR72_RED, "%s: {R20, ..., pA, dw, kex}" % MODEL_CR72, "%s: {R20, ..., phi_ex, padw2, kex}" % MODEL_IT99, "%s: {R20, ..., pA, dw, kex}" % MODEL_NS_2SITE_STAR_RED, @@ -452,6 +453,7 @@ MODEL_R2EFF, MODEL_NOREX, MODEL_LM63, + MODEL_CR72_RED, MODEL_CR72, MODEL_IT99, MODEL_NS_2SITE_STAR_RED, @@ -471,6 +473,7 @@ uf.desc[-1].add_item_list_element("'%s'" % MODEL_R2EFF, "This is the model used to determine the R2eff values and errors required as the base data for all other models,") uf.desc[-1].add_item_list_element("'%s'" % MODEL_NOREX, "This is the model for no chemical exchange being present,") uf.desc[-1].add_item_list_element("'%s'" % MODEL_LM63, "The original Luz and Meiboom (1963) 2-site fast exchange equation with parameters {R20, ..., phi_ex, kex},") +uf.desc[-1].add_item_list_element("'%s'" % MODEL_CR72_RED, "The Carver and Richards (1972) 2-site equation for all time scales whereby the simplification R20A = R20B is assumed. The parameters are {R20, ..., pA, dw, kex}.") uf.desc[-1].add_item_list_element("'%s'" % MODEL_CR72, "The Carver and Richards (1972) 2-site equation for all time scales with parameters {R20, ..., pA, dw, kex}.") uf.desc[-1].add_item_list_element("'%s'" % MODEL_IT99, "The Ishima and Torchia (1999) 2-site model for all time scales with pA >> pB and with parameters {R20, ..., phi_ex, padw2, kex}.") uf.desc[-1].add_paragraph("For the R1rho-type experiment, the currently supported models are:")