Re: r24929 - /branches/R1_fitting/specific_analyses/relax_disp/parameters.py -- August 18, 2014 - 10:33

Hi Edward.

This error was corrected later to:

elif param_name in ['r1_fit']:

I can make a search for r1_fit later, to replace it.

Best
Troels



2014-08-18 10:11 GMT+02:00 Edward d'Auvergne <edward@xxxxxxxxxxxxx>:
> 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']:
> >
> >
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