Hi, For the 'No Rex' to 'No Rex R1rho off res' model conversion, this is probably not necessary. But for future relax developments, this conversion will be redundant anyway as we cannot support these two models and handle CPMG and R1rho data simultaneously (see http://thread.gmane.org/gmane.science.nmr.relax.scm/22850/focus=6728). So I see the 'No Rex R1rho off res' model as a temporary development.
Regards, Edward On 20 August 2014 16:13, Troels Emtekær Linnet <[email protected]> wrote: > 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
