mailRe: r25463 - /trunk/specific_analyses/relax_disp/uf.py


Others Months | Index by Date | Thread Index
>>   [Date Prev] [Date Next] [Thread Prev] [Thread Next]

Header


Content

Posted by Edward d'Auvergne on September 01, 2014 - 12:35:
Hi Troels,

This is not the correct approach for this parameter.  Instead, the
specific_analyses.relax_disp.parameters.r1_setup() function should
always be used.  This function allows R1 to dynamically change as a
parameter or fixed value at any point in the analysis and with any
sequence of events.  The fixed MODEL_PARAMS list should not be
modified.

The r1_setup() function needs to be called whenever the parameters are
accessed, so I don't know where this is missing.  It is called at the
start of all the minimisation, calculation, and back-calculation
functions.  Maybe the call just needs to be added to
specific_analyses.relax_disp.optimisation.minimise_r2eff() to fix the
problem?  It could be that it is called for all models but 'R2eff'.

Regards,

Edward

On 30 August 2014 00:00,  <tlinnet@xxxxxxxxxxxxx> wrote:
Author: tlinnet
Date: Sat Aug 30 00:00:45 2014
New Revision: 25463

URL: http://svn.gna.org/viewcvs/relax?rev=25463&view=rev
Log:
Fix for 'r1' not being added to parameters, when looking up model in 
dictionary.

bug #22541(https://gna.org/bugs/?22541): The R1 fit flag does not work in 
the GUI.

Modified:
    trunk/specific_analyses/relax_disp/uf.py

Modified: trunk/specific_analyses/relax_disp/uf.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/specific_analyses/relax_disp/uf.py?rev=25463&r1=25462&r2=25463&view=diff
==============================================================================
--- trunk/specific_analyses/relax_disp/uf.py    (original)
+++ trunk/specific_analyses/relax_disp/uf.py    Sat Aug 30 00:00:45 2014
@@ -169,8 +169,19 @@

     # All other models.
     else:
-        params = MODEL_PARAMS[model]
+        # Should r1 parameter be added to params?
+        add_r1 = False

+        # Check if r1_fit is stored in cdp.
+        if hasattr(cdp, 'r1_fit'):
+            if cdp.r1_fit:
+                if 'r1' not in MODEL_PARAMS[model]:
+                    add_r1 = True
+        if add_r1:
+            params = ['r1'] + MODEL_PARAMS[model]
+        else:
+            params = MODEL_PARAMS[model]
+
     # Printout.
     print(MODEL_DESC[model])



_______________________________________________
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



Related Messages


Powered by MHonArc, Updated Mon Sep 01 14:40:10 2014