Hi,
This is a difficult problem as R1 values are normally stored in the
ri_data dictionary object, the same place that R2 values are stored.
I don't have an easy solution for this, but future attempts at
unifying the handling of relaxation data in all analyses will affect
your current work. For example the 'r1' parameter here will probably
be converted into 'ri_data', and the 'ri_data' object set up with a
special method in the base Parameter_object class. The 'ri_data'
object is correctly handled by value.set and grace.write, but the
current implementation in the model-free parameter object is ugly.
Does your implementation now work correctly?
Regards,
Edward
On 15 August 2014 18:54, <tlinnet@xxxxxxxxxxxxx> wrote:
Author: tlinnet
Date: Fri Aug 15 18:54:01 2014
New Revision: 25036
URL: http://svn.gna.org/viewcvs/relax?rev=25036&view=rev
Log:
Fix in relax_disp API, how to handle the r1_fit parameter type.
bug #22470(https://gna.org/bugs/index.php?22470): value.set does not work
for parameter r1_fit.
Modified:
trunk/specific_analyses/relax_disp/api.py
Modified: trunk/specific_analyses/relax_disp/api.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/specific_analyses/relax_disp/api.py?rev=25036&r1=25035&r2=25036&view=diff
==============================================================================
--- trunk/specific_analyses/relax_disp/api.py (original)
+++ trunk/specific_analyses/relax_disp/api.py Fri Aug 15 18:54:01 2014
@@ -1001,8 +1001,29 @@
if error:
obj_name += '_err'
+ # Handle the R10 parameters.
+ if param[i] in ['r1_fit']:
+ # Loop over the current keys.
+ for exp_type, frq, ei, mi in
loop_exp_frq(return_indices=True):
+ # The parameter key.
+ key = generate_r20_key(exp_type=exp_type, frq=frq)
+
+ # Initialise the structure if needed.
+ if not hasattr(spin, obj_name):
+ setattr(spin, obj_name, {})
+
+ # Set the value.
+ if index == None:
+ obj = getattr(spin, obj_name)
+ obj[key] = value[i]
+
+ # If the index is specified, let it match the
frequency index
+ elif mi == index:
+ obj = getattr(spin, obj_name)
+ obj[key] = value[i]
+
# Handle the R20 parameters.
- if param[i] in PARAMS_R20:
+ elif param[i] in PARAMS_R20:
# Loop over the current keys.
for exp_type, frq, ei, mi in
loop_exp_frq(return_indices=True):
# The parameter key.
_______________________________________________
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
Re: r25036 - /trunk/specific_analyses/relax_disp/api.py