mailr19617 - /trunk/specific_analyses/relax_fit.py


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Posted by edward on May 02, 2013 - 14:19:
Author: bugman
Date: Thu May  2 14:19:18 2013
New Revision: 19617

URL: http://svn.gna.org/viewcvs/relax?rev=19617&view=rev
Log:
The relax_fit analysis now uses lib.mathematics.round_to_next_order() for the 
scaling matrix.

This allows the optimised I0 value to be better understandable in the 
printouts.


Modified:
    trunk/specific_analyses/relax_fit.py

Modified: trunk/specific_analyses/relax_fit.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/specific_analyses/relax_fit.py?rev=19617&r1=19616&r2=19617&view=diff
==============================================================================
--- trunk/specific_analyses/relax_fit.py (original)
+++ trunk/specific_analyses/relax_fit.py Thu May  2 14:19:18 2013
@@ -32,10 +32,11 @@
 
 # relax module imports.
 from dep_check import C_module_exp_fn
+from lib.errors import RelaxError, RelaxFuncSetupError, RelaxLenError, 
RelaxNoModelError, RelaxNoSequenceError
+from lib.mathematics import round_to_next_order
+from lib.warnings import RelaxDeselectWarning
 from pipe_control import pipes
 from pipe_control.mol_res_spin import exists_mol_res_spin_data, 
generate_spin_id_unique, return_spin, spin_loop
-from lib.errors import RelaxError, RelaxFuncSetupError, RelaxLenError, 
RelaxNoModelError, RelaxNoSequenceError
-from lib.warnings import RelaxDeselectWarning
 from specific_analyses.api_base import API_base
 from specific_analyses.api_common import API_common
 from user_functions.data import Uf_tables; uf_tables = Uf_tables()
@@ -153,7 +154,7 @@
 
             # Intensity scaling.
             elif search('^i', spin.params[i]):
-                scaling_matrix[i, i] = max(spin.intensities.values())
+                scaling_matrix[i, i] = 
round_to_next_order(max(spin.intensities.values()))
 
         # Return the scaling matrix.
         return scaling_matrix




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