Hi Edward. Just to make sure.
A warning will then always be raised for off resonance analyses. The 'No Rex' conversion will raise this? Best Troerls 2014-08-20 16:09 GMT+02:00 Edward d'Auvergne <[email protected]>: > For the r1ho_translated flag, the text could be shortened and put into > one line, and the "IMPORTANT" part removed as the "RelaxWarning" > printout is the important message. You shouldn't use multiple > RelaxWarnings for this part. > > Cheers, > > Edward > > On 20 August 2014 16:08, Edward d'Auvergne <[email protected]> wrote: >> Hi Troels, >> >> Could you rather use RelaxWarnings here for all of the conversion >> printouts? The printouts for the previous list and new list of models >> are fine, but normally when a major change is made for the user a >> RelaxWarning is used to inform them. In many cases the user has made >> a mistake, i.e. chosen the wrong model or not loaded the R1 data. The >> RelaxWarning system allows the user to more easily find where they >> have made possible errors. >> >> Cheers, >> >> Edward >> >> >> On 20 August 2014 16:01, <[email protected]> wrote: >>> Author: tlinnet >>> Date: Wed Aug 20 16:01:43 2014 >>> New Revision: 25098 >>> >>> URL: http://svn.gna.org/viewcvs/relax?rev=25098&view=rev >>> Log: >>> Inserted into relax_disp auto_analyses, to convert the input models. >>> >>> This will convert/insert the correct 'No Rex' to the corresponding 'No Rex' >>> model for R1rho off-resonance models. >>> It will also translate to the corresponding 'R1 fit' model, if no 'R1 data' >>> has been loaded with relax_data.read() function. >>> >>> Modified: >>> trunk/auto_analyses/relax_disp.py >>> >>> Modified: trunk/auto_analyses/relax_disp.py >>> URL: >>> http://svn.gna.org/viewcvs/relax/trunk/auto_analyses/relax_disp.py?rev=25098&r1=25097&r2=25098&view=diff >>> ============================================================================== >>> --- trunk/auto_analyses/relax_disp.py (original) >>> +++ trunk/auto_analyses/relax_disp.py Wed Aug 20 16:01:43 2014 >>> @@ -39,7 +39,7 @@ >>> 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.model import nesting_model, nesting_param >>> +from specific_analyses.relax_disp.model import convert_no_rex_fit_r1, >>> nesting_model, nesting_param >>> from specific_analyses.relax_disp.variables import EQ_ANALYTIC, >>> EQ_NUMERIC, EQ_SILICO, MODEL_LIST_ANALYTIC, MODEL_LIST_NEST, >>> MODEL_LIST_NUMERIC, MODEL_LIST_R1RHO_FIT_R1, MODEL_LIST_R1RHO_W_R1, >>> MODEL_LIST_R1RHO_FULL, MODEL_NOREX, MODEL_NOREX_R1RHO, >>> MODEL_NOREX_R1RHO_FIT_R1, MODEL_PARAMS, MODEL_R2EFF, PARAMS_R20 >>> from status import Status; status = Status() >>> >>> @@ -100,7 +100,6 @@ >>> self.pipe_name = pipe_name >>> self.pipe_bundle = pipe_bundle >>> self.results_dir = results_dir >>> - self.models = models >>> self.grid_inc = grid_inc >>> self.mc_sim_num = mc_sim_num >>> self.exp_mc_sim_num = exp_mc_sim_num >>> @@ -112,6 +111,35 @@ >>> self.numeric_only = numeric_only >>> self.mc_sim_all_models = mc_sim_all_models >>> self.eliminate = eliminate >>> + >>> + # Possible convert the models for analyses. >>> + # Determine if any model in the list of all models should be >>> replaced or inserted as the correct 'No Rex' model. >>> + # Also translate the R1rho off-resonance model to the >>> corresponding 'R1 fit' models, if R1 is not loaded. >>> + converted_models, no_rex_translated, no_rex_inserted, >>> r1ho_translated = convert_no_rex_fit_r1(self_models=deepcopy(models)) >>> + >>> + if converted_models != models: >>> + # Printout. >>> + section(file=sys.stdout, text="Converting models.", prespace=2) >>> + >>> + # If 'No Rex' model was translated. >>> + if no_rex_translated: >>> + no_rex_index = models.index(MODEL_NOREX) >>> + print("\nThe 'No Rex' model for R1rho off-resonance models >>> has been translated to the model: '%s'."%(converted_models[no_rex_index])) >>> + if no_rex_inserted: >>> + no_rex_index = models.index(MODEL_NOREX) + 1 >>> + print("\nThe 'No Rex' model for R1rho off-resonance models >>> has been inserted as model: '%s'."%(converted_models[no_rex_index])) >>> + if r1ho_translated: >>> + print("\nIMPORTANT: R1 data is missing for this >>> data-pipe.") >>> + print("Therefore all of the R1rho off-resonance model has >>> been translated into the corresponding models where R1 is fitted.") >>> + print("If the R1 parameter should not fitted, consult the >>> help pages: help(relax_data.read), to read how to load 'R1 data' before >>> analysis.") >>> + >>> + print("\nPrevious list of models: %s" % (models)) >>> + print("\nNew list of models: %s" % (converted_models)) >>> + >>> + # Store the new order of models. >>> + self.models = converted_models >>> + else: >>> + self.models = models >>> >>> # No results directory, so default to the current directory. >>> if not self.results_dir: >>> >>> >>> _______________________________________________ >>> 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 _______________________________________________ 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
