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)):
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