mailr19619 - /branches/relax_disp/specific_analyses/relax_disp.py


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Posted by edward on May 02, 2013 - 14:21:
Author: bugman
Date: Thu May  2 14:21:28 2013
New Revision: 19619

URL: http://svn.gna.org/viewcvs/relax?rev=19619&view=rev
Log:
The relaxation dispersion scaling matrix assembly now uses 
lib.mathematics.round_to_next_order().

This allows the printed out I0 values for the optimisation of the exponential 
curves to be easier
to scale back to the real value.


Modified:
    branches/relax_disp/specific_analyses/relax_disp.py

Modified: branches/relax_disp/specific_analyses/relax_disp.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/relax_disp/specific_analyses/relax_disp.py?rev=19619&r1=19618&r2=19619&view=diff
==============================================================================
--- branches/relax_disp/specific_analyses/relax_disp.py (original)
+++ branches/relax_disp/specific_analyses/relax_disp.py Thu May  2 14:21:28 
2013
@@ -37,6 +37,7 @@
 from lib.errors import RelaxError, RelaxFuncSetupError, RelaxLenError, 
RelaxNoModelError, RelaxNoSequenceError, RelaxNoSpectraError
 from lib.io import get_file_path, open_write_file
 from lib.list import count_unique_elements, unique_elements
+from lib.mathematics import round_to_next_order
 from lib.software.grace import write_xy_data, write_xy_header
 from lib.text.sectioning import subsection
 from pipe_control import pipes
@@ -257,7 +258,7 @@
                 param_index += 1
 
                 # Initial intensity scaling.
-                scaling_matrix[param_index, param_index] = 
max(spin.intensities.values())
+                scaling_matrix[param_index, param_index] = 
round_to_next_order(max(spin.intensities.values()))
                 param_index += 1
 
             # Loop over each exponential curve.
@@ -268,7 +269,7 @@
                     param_index += 1
 
                     # Initial intensity scaling.
-                    scaling_matrix[param_index, param_index] = 
max(spin.intensities.values())
+                    scaling_matrix[param_index, param_index] = 
round_to_next_order(max(spin.intensities.values()))
                     param_index += 1
 
         # Then the spin block specific parameters.




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