[bug #21788] Only Warning is raised for missing loading R1 relaxation rate for the off-resonance R1rho relaxation dispersion models. -- March 13, 2014 - 13:38

URL:
  <http://gna.org/bugs/?21788>

                 Summary: Only Warning is raised for missing loading R1
relaxation rate for the off-resonance R1rho relaxation dispersion models.
                 Project: relax
            Submitted by: tlinnet
            Submitted on: Thu 13 Mar 2014 12:38:58 PM UTC
                Category: relax's source code
Specific analysis category: Relaxation dispersion
                Priority: 5 - Normal
                Severity: 4 - Important
                  Status: Confirmed
             Assigned to: None
         Originator Name: 
        Originator Email: 
             Open/Closed: Open
                 Release: 3.1.6
         Discussion Lock: Any
        Operating System: All systems

    _______________________________________________________

Details:

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.






    _______________________________________________________

Reply to this item at:

  <http://gna.org/bugs/?21788>

_______________________________________________
  Message sent via/by Gna!
  http://gna.org/