Hi Edward. I am currently using numpy.save, to save all the structures.
Best 2014-06-23 12:27 GMT+02:00 Edward d'Auvergne <[email protected]>: > As before, you could convert this into a unit test. The easiest way > would be to jump back to this revision and use print statements to > obtain all the values required to set up and execute a unit test. > > Regards, > > Edward > > > On 20 June 2014 19:13, <[email protected]> wrote: > > Author: tlinnet > > Date: Fri Jun 20 19:13:18 2014 > > New Revision: 24219 > > > > URL: http://svn.gna.org/viewcvs/relax?rev=24219&view=rev > > Log: > > Inserted check, that newly multi dimensional matrix is equal the old. > > > > It is, to the 13 digit. > > > > Task #7807 (https://gna.org/task/index.php?7807): Speed-up of > dispersion models for Clustered analysis. > > > > Modified: > > branches/disp_spin_speed/lib/dispersion/ns_r1rho_3site.py > > > > Modified: branches/disp_spin_speed/lib/dispersion/ns_r1rho_3site.py > > URL: > http://svn.gna.org/viewcvs/relax/branches/disp_spin_speed/lib/dispersion/ns_r1rho_3site.py?rev=24219&r1=24218&r2=24219&view=diff > > > ============================================================================== > > --- branches/disp_spin_speed/lib/dispersion/ns_r1rho_3site.py > (original) > > +++ branches/disp_spin_speed/lib/dispersion/ns_r1rho_3site.py Fri Jun > 20 19:13:18 2014 > > @@ -57,10 +57,10 @@ > > > > # Python module imports. > > from math import atan2, cos, log, sin > > -from numpy import dot > > +from numpy import dot, sum > > > > # relax module imports. > > -from lib.dispersion.ns_matrices import rr1rho_3d_3site > > +from lib.dispersion.ns_matrices import rr1rho_3d_3site, > rr1rho_3d_3site_rankN > > from lib.float import isNaN > > from lib.linear_algebra.matrix_exponential import matrix_exponential > > > > @@ -124,6 +124,9 @@ > > # Extract shape of experiment. > > NE, NS, NM, NO = num_points.shape > > > > + # The matrix that contains all the contributions to the evolution, > i.e. relaxation, exchange and chemical shift evolution. > > + R_mat = rr1rho_3d_3site_rankN(R1=r1, r1rho_prime=r1rho_prime, > pA=pA, pB=pB, pC=pC, dw_AB=dw_AB, dw_AC=dw_AC, omega=omega, offset=offset, > w1=spin_lock_fields, k_AB=k_AB, k_BA=k_BA, k_BC=k_BC, k_CB=k_CB, k_AC=k_AC, > k_CA=k_CA, relax_time=relax_time) > > + > > # Loop over spins. > > for si in range(NS): > > # Loop over the spectrometer frequencies. > > @@ -159,6 +162,13 @@ > > # The matrix that contains all the contributions to > the evolution, i.e. relaxation, exchange and chemical shift evolution. > > rr1rho_3d_3site(matrix=matrix, R1=r1_i, > r1rho_prime=r1rho_prime_i[j], pA=pA, pB=pB, pC=pC, wA=dA, wB=dB, wC=dC, > w1=spin_lock_fields_i[j], k_AB=k_AB, k_BA=k_BA, k_BC=k_BC, k_CB=k_CB, > k_AC=k_AC, k_CA=k_CA) > > > > + R_mat_i = R_mat[0, si, mi, oi] > > + diff = matrix*relax_time_i[j] - R_mat_i > > + if abs(sum(diff)) > 1e-12: > > + print abs(sum(diff)) > > + print asd > > + > > + > > # The following lines rotate the magnetization > previous to spin-lock into the weff frame. > > theta = atan2(spin_lock_fields_i[j], dA) > > M0[0] = sin(theta) # The A state initial X > magnetisation. > > > > > > _______________________________________________ > > 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
