Should the param_name not be 'r1_fit' here? Just as 'R2' and 'r2' are not 'R2_fit' and 'r2_fit', the 'r1_fit' would be better as 'r1'. If R1 is a model parameter, then is it by definition fit.
Cheers, Edward On 4 August 2014 16:27, <[email protected]> wrote: > Author: tlinnet > Date: Mon Aug 4 16:27:44 2014 > New Revision: 24929 > > URL: http://svn.gna.org/viewcvs/relax?rev=24929&view=rev > Log: > Added linear linear_constraints for paramter "r1_fit". > > 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/specific_analyses/relax_disp/parameters.py > > Modified: branches/R1_fitting/specific_analyses/relax_disp/parameters.py > URL: > http://svn.gna.org/viewcvs/relax/branches/R1_fitting/specific_analyses/relax_disp/parameters.py?rev=24929&r1=24928&r2=24929&view=diff > ============================================================================== > --- branches/R1_fitting/specific_analyses/relax_disp/parameters.py > (original) > +++ branches/R1_fitting/specific_analyses/relax_disp/parameters.py Mon > Aug 4 16:27:44 2014 > @@ -430,6 +430,7 @@ > > The different constraints used within different models are:: > > + 0 <= R1_fit <= 200 > 0 <= R2 <= 200 > 0 <= R2A <= 200 > 0 <= R2B <= 200 > @@ -455,6 +456,10 @@ > > In the notation A.x >= b, where A is a matrix of coefficients, x is an > array of parameter values, and b is a vector of scalars, these inequality > constraints are:: > > + | 1 0 0 | | R1_fit | | 0 | > + | | | | | | > + |-1 0 0 | | R1_fit | | -200 | > + | | | | | | > | 1 0 0 | | R2 | | 0 | > | | | | | | > |-1 0 0 | | R2 | | -200 | > @@ -535,6 +540,16 @@ > A[j][param_index] = 1.0 > b.append(0.0) > j += 1 > + > + # The fitted longitudinal relaxation rates (0 <= r1_fit <= 200). > + elif param_name in ['R1_fit']: > + A.append(zero_array * 0.0) > + A.append(zero_array * 0.0) > + A[j][param_index] = 1.0 > + A[j+1][param_index] = -1.0 > + b.append(0.0) > + b.append(-200.0 / scaling_matrix[param_index, param_index]) > + j += 2 > > # The transversal relaxation rates (0 <= r2 <= 200). > elif param_name in ['r2', 'r2a', 'r2b']: > > > _______________________________________________ > 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
