bugrelax - Bugs: bug #21788, Only Warning is raised for missing...

 
 
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bug #21788: Only Warning is raised for missing loading R1 relaxation rate for the off-resonance R1rho relaxation dispersion models.

Submitted by:  Troels E. Linnet <tlinnet>
Submitted on:  Thu 13 Mar 2014 12:38:58 PM UTC  
 
Category: relax's source codeSpecific analysis category: Relaxation dispersion
Priority: 5 - NormalSeverity: 4 - Important
Status: ConfirmedAssigned to: None
Originator Name: Open/Closed: Open
Release: 3.1.6Operating System: All systems

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Tue 17 Jun 2014 06:37:46 PM UTC, comment #2:

Hi Ed.

Can we add this feature?

Ideally, I would like to implement fitting of R1.
This could be done, if no R1 data is loaded ?

Best
Troels

Troels E. Linnet <tlinnet>
Project Member
Wed 19 Mar 2014 01:00:20 PM UTC, comment #1:

This should take care, that M61 model does not need the reading for R1.

Troels E. Linnet <tlinnet>
Project Member
Thu 13 Mar 2014 12:38:58 PM UTC, original submission:

Was discussed in this thread:
http://thread.gmane.org/gmane.science.nmr.relax.devel/5198

If the user wants R1 values of 0, they can create a file full of zeros and read that in.

Expand to the missing list in the assemble_data() method in the gui.analyses.auto_relax_disp module.

Here the R1 data should be added to the missing list, if missing (with the same checks as for the RelaxWarning which should be a RelaxError).

Then this will automatically present a window to the user when they click on
"Execute" saying that the R1 data is missing.

That is a better way to communicate to the user in the GUI and is how I have implemented this for all GUI analysis types.

For simplicity, the R1 check for the RelaxError could be shifted into specific_analyses.relax_disp.checks and then reused for the GUI to add text to the missing list.

Troels E. Linnet <tlinnet>
Project Member

 

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