How? MODEL_NS_R1RHO_2SITE self.model.func_ns_r1rho_2site(params)
Best Troels 2014-06-18 17:04 GMT+02:00 Edward d'Auvergne <[email protected]>: > Hi Troels, > > I'm guessing that you already know this, but this is still executing > the DPL94 model rather than NS R1rho 2-site model. > > Regards, > > Edward > > > > On 18 June 2014 16:48, <[email protected]> wrote: > > Author: tlinnet > > Date: Wed Jun 18 16:48:50 2014 > > New Revision: 24100 > > > > URL: http://svn.gna.org/viewcvs/relax?rev=24100&view=rev > > Log: > > Added profiling script for NS R1rho 2site. > > > > Task #7807 (https://gna.org/task/index.php?7807): Speed-up of > dispersion models for Clustered analysis. > > > > Modified: > > > branches/disp_spin_speed/test_suite/shared_data/dispersion/profiling/profiling_ns_r1rho_2site.py > > > > Modified: > branches/disp_spin_speed/test_suite/shared_data/dispersion/profiling/profiling_ns_r1rho_2site.py > > URL: > http://svn.gna.org/viewcvs/relax/branches/disp_spin_speed/test_suite/shared_data/dispersion/profiling/profiling_ns_r1rho_2site.py?rev=24100&r1=24099&r2=24100&view=diff > > > ============================================================================== > > --- > branches/disp_spin_speed/test_suite/shared_data/dispersion/profiling/profiling_ns_r1rho_2site.py > (original) > > +++ > branches/disp_spin_speed/test_suite/shared_data/dispersion/profiling/profiling_ns_r1rho_2site.py > Wed Jun 18 16:48:50 2014 > > @@ -63,7 +63,7 @@ > > def main(): > > if True: > > # Nr of iterations. > > - nr_iter = 1000 > > + nr_iter = 10 > > > > # Print statistics. > > verbose = True > > @@ -523,11 +523,11 @@ > > """ > > > > # Return chi2 value. > > - chi2 = self.model.func_DPL94(params) > > + chi2 = self.model.func_ns_r1rho_2site(params) > > return chi2 > > > > > > -def single(num_spins=1, model=MODEL_DPL94, iter=None): > > +def single(num_spins=1, model=MODEL_NS_R1RHO_2SITE, iter=None): > > """Calculate for a single spin. > > > > @keyword num_spins: Number of spins in the cluster. > > @@ -541,7 +541,7 @@ > > """ > > > > # Instantiate class > > - C1 = Profile(num_spins=num_spins, model=model, r2=5.0, phi_ex=1.0, > kex=5000.0, spins_params=['r2', 'phi_ex', 'kex']) > > + C1 = Profile(num_spins=num_spins, model=model, r2=5.0, dw=1.0, > pA=0.9, kex=5000.0, spins_params=['r2', 'dw', 'pA', 'kex']) > > > > # Loop 100 times for each spin in the clustered analysis (to make > the timing numbers equivalent). > > for spin_index in xrange(100): > > @@ -551,7 +551,7 @@ > > print("chi2 single:", chi2) > > > > > > -def cluster(num_spins=100, model=MODEL_DPL94, iter=None): > > +def cluster(num_spins=100, model=MODEL_NS_R1RHO_2SITE, iter=None): > > """Calculate for a number of clustered spins. > > > > @keyword num_spins: Number of spins in the cluster. > > @@ -565,7 +565,7 @@ > > """ > > > > # Instantiate class > > - C1 = Profile(num_spins=num_spins, model=model, r2=5.0, phi_ex=1.0, > kex=5000.0, spins_params=['r2', 'phi_ex', 'kex']) > > + C1 = Profile(num_spins=num_spins, model=model, r2=5.0, dw=1.0, > pA=0.9, kex=5000.0, spins_params=['r2', 'dw', 'pA', 'kex']) > > > > # Repeat the function call, to simulate minimisation. > > for i in xrange(iter): > > > > > > _______________________________________________ > > 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
