Hi Troels, You have a chi-squared printout in all of your profiling scripts, but do you know why that value is so high in all scripts?
Regards, Edward On 18 June 2014 17:27, <[email protected]> wrote: > Author: tlinnet > Date: Wed Jun 18 17:27:54 2014 > New Revision: 24110 > > URL: http://svn.gna.org/viewcvs/relax?rev=24110&view=rev > Log: > Modified profiling script for MP05. > > 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_mp05.py > > Modified: > branches/disp_spin_speed/test_suite/shared_data/dispersion/profiling/profiling_mp05.py > URL: > http://svn.gna.org/viewcvs/relax/branches/disp_spin_speed/test_suite/shared_data/dispersion/profiling/profiling_mp05.py?rev=24110&r1=24109&r2=24110&view=diff > ============================================================================== > --- > branches/disp_spin_speed/test_suite/shared_data/dispersion/profiling/profiling_mp05.py > (original) > +++ > branches/disp_spin_speed/test_suite/shared_data/dispersion/profiling/profiling_mp05.py > Wed Jun 18 17:27:54 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_MP05(params) > return chi2 > > > -def single(num_spins=1, model=MODEL_DPL94, iter=None): > +def single(num_spins=1, model=MODEL_MP05, 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_MP05, 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
