Author: tlinnet Date: Tue Aug 5 13:52:47 2014 New Revision: 24963 URL: http://svn.gna.org/viewcvs/relax?rev=24963&view=rev Log: Implemented the list "MODEL_LIST_NEST", which define which model are used for nesting. sr #3135(https://gna.org/support/?3135): Optimisation of the R1 relaxation rate for the off-resonance R1rho relaxation dispersion models. Modified: branches/R1_fitting/auto_analyses/relax_disp.py branches/R1_fitting/specific_analyses/relax_disp/variables.py Modified: branches/R1_fitting/auto_analyses/relax_disp.py URL: http://svn.gna.org/viewcvs/relax/branches/R1_fitting/auto_analyses/relax_disp.py?rev=24963&r1=24962&r2=24963&view=diff ============================================================================== --- branches/R1_fitting/auto_analyses/relax_disp.py (original) +++ branches/R1_fitting/auto_analyses/relax_disp.py Tue Aug 5 13:52:47 2014 @@ -38,7 +38,7 @@ from prompt.interpreter import Interpreter from specific_analyses.relax_disp.data import has_exponential_exp_type, has_cpmg_exp_type, has_fixed_time_exp_type, has_r1rho_exp_type, loop_frq from specific_analyses.relax_disp.data import INTERPOLATE_DISP, INTERPOLATE_OFFSET, X_AXIS_DISP, X_AXIS_W_EFF, X_AXIS_THETA, Y_AXIS_R2_R1RHO, Y_AXIS_R2_EFF -from specific_analyses.relax_disp.variables import MODEL_CR72, MODEL_CR72_FULL, MODEL_LIST_ANALYTIC, MODEL_LIST_NUMERIC, MODEL_LIST_R1RHO_FIT_R1, MODEL_LIST_R1RHO_W_R1, MODEL_LIST_R1RHO_FULL, MODEL_LM63, MODEL_LM63_3SITE, MODEL_MP05, MODEL_MMQ_CR72, MODEL_NOREX, MODEL_NOREX_R1RHO, MODEL_NOREX_R1RHO_FIT_R1, 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_2SITE, MODEL_NS_MMQ_3SITE, MODEL_NS_MMQ_3SITE_LINEAR, MODEL_NS_R1RHO_2SITE, MODEL_NS_R1RHO_3SITE, MODEL_NS_R1RHO_3SITE_LINEAR, MODEL_PARAMS, MODEL_R2EFF, PARAMS_R20 +from specific_analyses.relax_disp.variables import MODEL_CR72, MODEL_CR72_FULL, MODEL_LIST_ANALYTIC, MODEL_LIST_NEST, MODEL_LIST_NUMERIC, MODEL_LIST_R1RHO_FIT_R1, MODEL_LIST_R1RHO_W_R1, MODEL_LIST_R1RHO_FULL, MODEL_LM63, MODEL_LM63_3SITE, MODEL_MP05, MODEL_MMQ_CR72, MODEL_NOREX, MODEL_NOREX_R1RHO, MODEL_NOREX_R1RHO_FIT_R1, 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_2SITE, MODEL_NS_MMQ_3SITE, MODEL_NS_MMQ_3SITE_LINEAR, MODEL_NS_R1RHO_2SITE, MODEL_NS_R1RHO_3SITE, MODEL_NS_R1RHO_3SITE_LINEAR, MODEL_PARAMS, MODEL_R2EFF, PARAMS_R20 from status import Status; status = Status() @@ -177,7 +177,7 @@ # Loop over all models. for model in self.models: # Skip the models used for nesting. - if model in [MODEL_CR72, MODEL_MMQ_CR72, MODEL_MP05]: + if model in MODEL_LIST_NEST: continue # Warnings for all other analytic models. Modified: branches/R1_fitting/specific_analyses/relax_disp/variables.py URL: http://svn.gna.org/viewcvs/relax/branches/R1_fitting/specific_analyses/relax_disp/variables.py?rev=24963&r1=24962&r2=24963&view=diff ============================================================================== --- branches/R1_fitting/specific_analyses/relax_disp/variables.py (original) +++ branches/R1_fitting/specific_analyses/relax_disp/variables.py Tue Aug 5 13:52:47 2014 @@ -190,6 +190,12 @@ # The parameters. PARAMS_R20 = ['r2', 'r2a', 'r2b'] +# The defined models, which is used for nesting. +MODEL_NEST_CPMG = MODEL_CR72 +MODEL_NEST_MMQ = MODEL_MMQ_CR72 +MODEL_NEST_R1RHO = MODEL_MP05 + +MODEL_LIST_NEST = [MODEL_NEST_CPMG, MODEL_NEST_MMQ, MODEL_NEST_R1RHO] # The model lists. ## The CPMG models