This is a great idea :) Cheers,
Edward On 1 August 2014 18:09, <[email protected]> wrote: > Author: tlinnet > Date: Fri Aug 1 18:09:41 2014 > New Revision: 24912 > > URL: http://svn.gna.org/viewcvs/relax?rev=24912&view=rev > Log: > Added warning message to auto analysis in relax disp, if numpy is below 1.8 > and using numerical model. > > This will make the analysis 5-6 times slower. > > 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=24912&r1=24911&r2=24912&view=diff > ============================================================================== > --- trunk/auto_analyses/relax_disp.py (original) > +++ trunk/auto_analyses/relax_disp.py Fri Aug 1 18:09:41 2014 > @@ -25,6 +25,7 @@ > # Python module imports. > from copy import deepcopy > from os import F_OK, access, getcwd, sep > +from numpy import version > import sys > from warnings import warn > > @@ -37,7 +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_R1RHO, 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_R2EFF, MODEL_TAP03, > MODEL_TP02, MODEL_TSMFK01 > +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_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_R2EFF, > MODEL_TAP03, MODEL_TP02, MODEL_TSMFK01 > from status import Status; status = Status() > > > @@ -115,6 +116,10 @@ > # Data checks. > self.check_vars() > > + # Check for numerical model using numpy version under 1.8. > + # This will result in slow "for loop" calculation through data, > making the analysis 5-6 times slower. > + self.check_numpy_less_1_8_and_numerical_model() > + > # Load the interpreter. > self.interpreter = Interpreter(show_script=False, > raise_relax_error=True) > self.interpreter.populate_self() > @@ -181,6 +186,31 @@ > > # Printout. > print("The dispersion auto-analysis variables are OK.") > + > + > + def check_numpy_less_1_8_and_numerical_model(self): > + """Check for numerical model using numpy version under 1.8. This > will result in slow "for loop" calculation through data, making the analysis > 5-6 times slower.""" > + > + # Some warning for the user if the pure numeric solution is selected. > + if float(version.version[:3]) < 1.8: > + # Store which models are in numeric. > + models = [] > + > + # Loop through models. > + for model in self.models: > + if model in MODEL_LIST_NUMERIC: > + models.append(model) > + > + # Write system message if numerical models is present and numpy > version is below 1.8. > + if len(models) > 0: > + # Printout. > + section(file=sys.stdout, text="Numpy version checking for > numerical models.", prespace=2) > + warn(RelaxWarning("Your version of numpy is %s, and below > the recommended version of 1.8 for numerical models." % (version.version))) > + warn(RelaxWarning("Please consider upgrading your numpy > version to 1.8.")) > + > + # Loop over models. > + for model in models: > + warn(RelaxWarning("This could make the numerical > analysis with model '%s', 5 to 6 times slower." % (model))) > > > def error_analysis(self): > > > _______________________________________________ > 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
