Hi, These should also be renamed to MODEL_LIST_PA and MODEL_LIST_PB.
Cheers, Edward On 5 August 2014 13:52, <[email protected]> wrote: > Author: tlinnet > Date: Tue Aug 5 13:52:18 2014 > New Revision: 24947 > > URL: http://svn.gna.org/viewcvs/relax?rev=24947&view=rev > Log: > Made list of models which fit pA or pA and pB. > > 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=24947&r1=24946&r2=24947&view=diff > ============================================================================== > --- branches/R1_fitting/auto_analyses/relax_disp.py (original) > +++ branches/R1_fitting/auto_analyses/relax_disp.py Tue Aug 5 13:52:18 > 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_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_R2EFF, MODEL_TAP03, MODEL_TP02, > MODEL_TSMFK01, PARAMS_R20 > from status import Status; status = Status() > > > @@ -619,13 +619,15 @@ > self.interpreter.value.write(param='r1_fit', file='r1_fit.out', > dir=path, force=True) > self.interpreter.grace.write(x_data_type='res_num', > y_data_type='r1_fit', file='r1_fit.agr', dir=path, force=True) > > - # The pA, pB, and pC parameters. > - 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_NS_R1RHO_3SITE, MODEL_NS_R1RHO_3SITE_LINEAR, MODEL_TP02, MODEL_TAP03, > MODEL_MP05, MODEL_NS_MMQ_3SITE, MODEL_NS_MMQ_3SITE_LINEAR]: > + # The pA and pB parameters. > + if model in [None] + MODEL_PARAM_PA: > self.interpreter.value.write(param='pA', file='pA.out', > dir=path, force=True) > self.interpreter.value.write(param='pB', file='pB.out', > dir=path, force=True) > self.interpreter.grace.write(x_data_type='res_num', > y_data_type='pA', file='pA.agr', dir=path, force=True) > self.interpreter.grace.write(x_data_type='res_num', > y_data_type='pB', file='pB.agr', dir=path, force=True) > - if model in [MODEL_NS_MMQ_3SITE, MODEL_NS_MMQ_3SITE_LINEAR, > MODEL_NS_R1RHO_3SITE, MODEL_NS_R1RHO_3SITE_LINEAR]: > + > + # The pC parameter. > + if model in [None] + MODEL_PARAM_PB: > self.interpreter.value.write(param='pC', file='pC.out', > dir=path, force=True) > self.interpreter.grace.write(x_data_type='res_num', > y_data_type='pC', file='pC.agr', dir=path, force=True) > > > 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=24947&r1=24946&r2=24947&view=diff > ============================================================================== > --- branches/R1_fitting/specific_analyses/relax_disp/variables.py > (original) > +++ branches/R1_fitting/specific_analyses/relax_disp/variables.py Tue > Aug 5 13:52:18 2014 > @@ -235,6 +235,12 @@ > """The list of all numeric models.""" > > # The model lists dependent on parameter. > +MODEL_PARAM_PA = [MODEL_B14, MODEL_B14_FULL, MODEL_CR72, MODEL_CR72_FULL, > MODEL_IT99, 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_TAP03, MODEL_TP02] > +"""Models using pA""" > + > +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_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
