mailRe: Adding value.write of theta/w_eff to auto-analysis of relax_didp for R1rho experiments.


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Posted by Edward d'Auvergne on March 12, 2014 - 13:54:
Hi,

What does the output look like?  Could you copy and paste an example?
I'm guessing the relax code is now fully functional so that these
files can be created.  If so, then creating these files in the
auto-analysis would not be a problem.  What is the plan for the
relax_disp.write_disp_curves user function?

Regards,

Edward



On 12 March 2014 13:43, Troels Emtekær Linnet <tlinnet@xxxxxxxxx> wrote:
Hi Edward.

I would like to add the custom to write out:
value.write(param='theta', file='theta.out')
value.write(param='w_eff', file='w_eff.out')

For those models who are in the list
MODEL_LIST_R1RHO_FULL = [MODEL_R2EFF, MODEL_NOREX, MODEL_M61, MODEL_M61B,
MODEL_DPL94, MODEL_TP02, MODEL_TAP03, MODEL_MP05, MODEL_NS_R1RHO_2SITE,
MODEL_NS_R1RHO_3SITE, MODEL_NS_R1RHO_3SITE_LINEAR]
"""The list of the R2eff model together with all dispersion models
specifically for R1rho-type experiments."""

In the relax_disp auto-analysis, in write_results()

I was thinking to add:

        # The theta/w_eff parameter.
        if model in MODEL_LIST_R1RHO_FULL:
            self.interpreter.value.write(param='theta', file='theta.out',
dir=path, force=True)
            self.interpreter.value.write(param='w_eff', file='w_eff.out',
dir=path, force=True)

Do you support this?

Best
Troels



Troels Emtekær Linnet

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