r27087 - /trunk/pipe_control/structure/main.py -- December 11, 2014 - 11:49

Author: bugman
Date: Thu Dec 11 11:49:26 2014
New Revision: 27087

URL: http://svn.gna.org/viewcvs/relax?rev=27087&view=rev
Log:
Fixes for the structure.superimpose and structure.align user functions.

The fit_to_mean() and fit_to_first() functions of lib.structure.superimpose 
where being incorrectly
called, in that they expect a list of elements and not lists of lists.


Modified:
    trunk/pipe_control/structure/main.py

Modified: trunk/pipe_control/structure/main.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/pipe_control/structure/main.py?rev=27087&r1=27086&r2=27087&view=diff
==============================================================================
--- trunk/pipe_control/structure/main.py        (original)
+++ trunk/pipe_control/structure/main.py        Thu Dec 11 11:49:26 2014
@@ -140,9 +140,9 @@
 
     # The different algorithms.
     if method == 'fit to mean':
-        T, R, pivot = fit_to_mean(models=list(range(len(elements))), 
coord=coord, centre_type=centre_type, elements=elements, centroid=centroid)
+        T, R, pivot = fit_to_mean(models=list(range(len(elements))), 
coord=coord, centre_type=centre_type, elements=elements[0], centroid=centroid)
     elif method == 'fit to first':
-        T, R, pivot = fit_to_first(models=list(range(len(elements))), 
coord=coord, centre_type=centre_type, elements=elements, centroid=centroid)
+        T, R, pivot = fit_to_first(models=list(range(len(elements))), 
coord=coord, centre_type=centre_type, elements=elements[0], centroid=centroid)
 
     # Update to the new coordinates.
     i = 0
@@ -1112,9 +1112,9 @@
 
     # The different algorithms.
     if method == 'fit to mean':
-        T, R, pivot = fit_to_mean(models=models, coord=coord, 
centre_type=centre_type, elements=elements, centroid=centroid)
+        T, R, pivot = fit_to_mean(models=models, coord=coord, 
centre_type=centre_type, elements=elements[0], centroid=centroid)
     elif method == 'fit to first':
-        T, R, pivot = fit_to_first(models=models, coord=coord, 
centre_type=centre_type, elements=elements, centroid=centroid)
+        T, R, pivot = fit_to_first(models=models, coord=coord, 
centre_type=centre_type, elements=elements[0], centroid=centroid)
 
     # Update to the new coordinates.
     for i in range(len(models)):