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)
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