r27056 - /trunk/test_suite/system_tests/structure.py -- December 10, 2014 - 15:53

Author: bugman
Date: Wed Dec 10 15:53:34 2014
New Revision: 27056

URL: http://svn.gna.org/viewcvs/relax?rev=27056&view=rev
Log:
Change to the Structure.test_align system test.

The molecules argument for the structure.align user function has been changed 
to match the models
argument, in that it now needs to be a list of lists with the first dimension 
matching the pipes
argument.  This change is to help with the implementation of the new 
structure.align functionality.


Modified:
    trunk/test_suite/system_tests/structure.py

Modified: trunk/test_suite/system_tests/structure.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/test_suite/system_tests/structure.py?rev=27056&r1=27055&r2=27056&view=diff
==============================================================================
--- trunk/test_suite/system_tests/structure.py  (original)
+++ trunk/test_suite/system_tests/structure.py  Wed Dec 10 15:53:34 2014
@@ -220,7 +220,7 @@
         self.interpreter.structure.translate(T=[0., 0., 1.], atom_id='#2')
 
         # The alignment.
-        self.interpreter.structure.align(pipes=['ref', 'align'], 
molecules=['ref', '1', '2'], method='fit to first', atom_id='@N,H')
+        self.interpreter.structure.align(pipes=['ref', 'align'], 
molecules=[['ref'], ['1', '2']], method='fit to first', atom_id='@N,H')
 
         # Output PDB to stdout to help in debugging.
         self.interpreter.structure.write_pdb(file=sys.stdout)