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, <tlinnet@xxxxxxxxxxxxx> 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 relax-commits@xxxxxxx 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