mailr11311 - /1.3/generic_fns/paramag.py


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Posted by edward on July 16, 2010 - 11:24:
Author: bugman
Date: Fri Jul 16 11:24:28 2010
New Revision: 11311

URL: http://svn.gna.org/viewcvs/relax?rev=11311&view=rev
Log:
Made a RelaxError less stringent so that the paramagnetic centre can be 
unfixed.


Modified:
    1.3/generic_fns/paramag.py

Modified: 1.3/generic_fns/paramag.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/generic_fns/paramag.py?rev=11311&r1=11310&r2=11311&view=diff
==============================================================================
--- 1.3/generic_fns/paramag.py (original)
+++ 1.3/generic_fns/paramag.py Fri Jul 16 11:24:28 2010
@@ -71,7 +71,7 @@
         raise RelaxNoPdbError
 
     # Test the centre has already been set.
-    if not force and hasattr(cdp, 'paramagnetic_centre'):
+    if pos and not force and hasattr(cdp, 'paramagnetic_centre'):
         raise RelaxError("The paramagnetic centre has already been set to 
the coordinates " + repr(cdp.paramagnetic_centre) + ".")
 
     # The fixed flag.




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