mailr26840 - /trunk/specific_analyses/relax_fit/api.py


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Posted by edward on November 29, 2014 - 17:04:
Author: bugman
Date: Sat Nov 29 17:04:00 2014
New Revision: 26840

URL: http://svn.gna.org/viewcvs/relax?rev=26840&view=rev
Log:
Updated the relaxation curve-fitting covariance_matrix() API method to handle 
all models.

The check for the 'exp' model type has been eliminated, and the parameter 
vector is assembled using
the flexible assemble_param_vector() function rather than manually 
constructing the vector.


Modified:
    trunk/specific_analyses/relax_fit/api.py

Modified: trunk/specific_analyses/relax_fit/api.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/specific_analyses/relax_fit/api.py?rev=26840&r1=26839&r2=26840&view=diff
==============================================================================
--- trunk/specific_analyses/relax_fit/api.py    (original)
+++ trunk/specific_analyses/relax_fit/api.py    Sat Nov 29 17:04:00 2014
@@ -90,10 +90,6 @@
         if not C_module_exp_fn:
             raise RelaxError("Relaxation curve fitting is not available.  
Try compiling the C modules on your platform.")
 
-        # Perform checks.
-        if not cdp.curve_type == 'exp':
-            raise RelaxError("Only curve type of 'exp' is allowed for error 
estimation.  Set by: relax_fit.select_model('exp').")
-
         # Raise Error, if not optimised.
         if not (hasattr(spin, 'rx') and hasattr(spin, 'i0')):
             raise RelaxError("Spin '%s' does not contain optimised 'rx' and 
'i0' values.  Try execute: minimise.execute(min_algor='Newton', 
constraints=False)"%(spin_id))
@@ -126,12 +122,8 @@
         errors = asarray(errors)
         times = asarray(times)
 
-        # Extract values.
-        rx = getattr(spin, 'rx')
-        i0 = getattr(spin, 'i0')
-
-        # Pack data
-        param_vector = [rx, i0]
+        # Create the parameter vector.
+        param_vector = assemble_param_vector(spin=spin)
 
         # Initialise data in C code.
         scaling_list = [1.0, 1.0]




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