Hi, These model lists should also be renamed to start with MODEL_LIST_* rather than MODEL_PARAM_*.
Cheers, Edward On 5 August 2014 13:52, <[email protected]> wrote: > Author: tlinnet > Date: Tue Aug 5 13:52:24 2014 > New Revision: 24950 > > URL: http://svn.gna.org/viewcvs/relax?rev=24950&view=rev > Log: > Implemeted models list with phi_ex, phi_ex_B, and phi_ex_C, and added to test > in auto_analyses of relax_disp. > > 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=24950&r1=24949&r2=24950&view=diff > ============================================================================== > --- branches/R1_fitting/auto_analyses/relax_disp.py (original) > +++ branches/R1_fitting/auto_analyses/relax_disp.py Tue Aug 5 13:52:24 > 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_B14, > MODEL_B14_FULL, MODEL_CR72, MODEL_CR72_FULL, MODEL_DPL94, MODEL_IT99, > MODEL_LIST_ANALYTIC, MODEL_LIST_NUMERIC, MODEL_LIST_R1RHO, > MODEL_LIST_R1RHO_FIT_R1, MODEL_LIST_R1RHO_FULL, MODEL_LM63, MODEL_LM63_3SITE, > MODEL_M61, MODEL_M61B, MODEL_MP05, MODEL_MMQ_CR72, 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_PARAM_PA, MODEL_PARAM_PB, MODEL_R2EFF, MODEL_TAP03, MODEL_TP02, > MODEL_TSMFK01, PARAMS_R20 > +from specific_analyses.relax_disp.variables import MODEL_B14, > MODEL_B14_FULL, MODEL_CR72, MODEL_CR72_FULL, MODEL_DPL94, MODEL_IT99, > MODEL_LIST_ANALYTIC, MODEL_LIST_NUMERIC, MODEL_LIST_R1RHO, > MODEL_LIST_R1RHO_FIT_R1, MODEL_LIST_R1RHO_FULL, MODEL_LM63, MODEL_LM63_3SITE, > MODEL_M61, MODEL_M61B, MODEL_MP05, MODEL_MMQ_CR72, 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_PARAM_PA, MODEL_PARAM_PB, MODEL_PARAM_PHIEX, MODEL_PARAM_PHIEX_B_AND_C, > MODEL_R2EFF, MODEL_TAP03, MODEL_TP02, MODEL_TSMFK01, PARAMS_R20 > from status import Status; status = Status() > > > @@ -638,17 +638,12 @@ > # The pC parameter. > self.write_results_test(path=path, model=model, > models_tested=models_tested, param='pC', model_param_list=MODEL_PARAM_PB) > > - # The Phi_ex parameter. > - if model in [None, MODEL_LM63, MODEL_M61, MODEL_DPL94]: > - self.interpreter.value.write(param='phi_ex', file='phi_ex.out', > dir=path, force=True) > - self.interpreter.grace.write(x_data_type='res_num', > y_data_type='phi_ex', file='phi_ex.agr', dir=path, force=True) > - > - # The Phi_ex_B nd Phi_ex_C parameters. > - if model in [None, MODEL_LM63_3SITE]: > - self.interpreter.value.write(param='phi_ex_B', > file='phi_ex_B.out', dir=path, force=True) > - self.interpreter.value.write(param='phi_ex_C', > file='phi_ex_C.out', dir=path, force=True) > - self.interpreter.grace.write(x_data_type='res_num', > y_data_type='phi_ex_B', file='phi_ex_B.agr', dir=path, force=True) > - self.interpreter.grace.write(x_data_type='res_num', > y_data_type='phi_ex_C', file='phi_ex_C.agr', dir=path, force=True) > + # The phi_ex parameter. > + self.write_results_test(path=path, model=model, > models_tested=models_tested, param='phi_ex', > model_param_list=MODEL_PARAM_PHIEX) > + > + # The phi_ex_B nd phi_ex_C parameters. > + self.write_results_test(path=path, model=model, > models_tested=models_tested, param='phi_ex_B', > model_param_list=MODEL_PARAM_PHIEX_B_AND_C) > + self.write_results_test(path=path, model=model, > models_tested=models_tested, param='phi_ex_C', > model_param_list=MODEL_PARAM_PHIEX_B_AND_C) > > # The dw parameter. > if model in [None, MODEL_B14, MODEL_B14_FULL, MODEL_CR72, > MODEL_CR72_FULL, MODEL_IT99, MODEL_M61B, MODEL_MMQ_CR72, > MODEL_NS_CPMG_2SITE_3D, MODEL_NS_CPMG_2SITE_3D_FULL, > MODEL_NS_CPMG_2SITE_STAR, MODEL_NS_CPMG_2SITE_STAR_FULL, > MODEL_NS_CPMG_2SITE_EXPANDED, MODEL_NS_MMQ_2SITE, MODEL_NS_R1RHO_2SITE, > MODEL_TP02, MODEL_TAP03, MODEL_MP05, MODEL_TSMFK01]: > > 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=24950&r1=24949&r2=24950&view=diff > ============================================================================== > --- branches/R1_fitting/specific_analyses/relax_disp/variables.py > (original) > +++ branches/R1_fitting/specific_analyses/relax_disp/variables.py Tue > Aug 5 13:52:24 2014 > @@ -240,6 +240,12 @@ > > MODEL_PARAM_PB = [MODEL_NS_MMQ_3SITE, MODEL_NS_MMQ_3SITE_LINEAR, > MODEL_NS_R1RHO_3SITE, MODEL_NS_R1RHO_3SITE_LINEAR] > """Models using pB""" > + > +MODEL_PARAM_PHIEX = [MODEL_DPL94, MODEL_DPL94_FIT_R1, MODEL_LM63, MODEL_M61] > +"""Models using phi_ex.""" > + > +MODEL_PARAM_PHIEX_B_AND_C = [MODEL_LM63_3SITE] > +"""Models using phi_ex_B and phi_ex_C.""" > > MODEL_PARAM_INV_RELAX_TIMES = [MODEL_B14, MODEL_B14_FULL, MODEL_MMQ_CR72, > 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] > """The inverted relaxation delay""" > > > _______________________________________________ > relax (http://www.nmr-relax.com) > > This is the relax-commits mailing list > [email protected] > > To unsubscribe from this list, get a password > reminder, or change your subscription options, > visit the list information page at > https://mail.gna.org/listinfo/relax-commits _______________________________________________ relax (http://www.nmr-relax.com) This is the relax-devel mailing list [email protected] To unsubscribe from this list, get a password reminder, or change your subscription options, visit the list information page at https://mail.gna.org/listinfo/relax-devel
