mailr9658 - /1.3/generic_fns/structure/main.py


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Posted by edward on October 08, 2009 - 12:42:
Author: bugman
Date: Thu Oct  8 12:42:22 2009
New Revision: 9658

URL: http://svn.gna.org/viewcvs/relax?rev=9658&view=rev
Log:
Modified the structure.delete() user function to remove all spin specific 
structural data.


Modified:
    1.3/generic_fns/structure/main.py

Modified: 1.3/generic_fns/structure/main.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/generic_fns/structure/main.py?rev=9658&r1=9657&r2=9658&view=diff
==============================================================================
--- 1.3/generic_fns/structure/main.py (original)
+++ 1.3/generic_fns/structure/main.py Thu Oct  8 12:42:22 2009
@@ -46,6 +46,18 @@
 
     # Run the object method.
     cdp.structure.delete()
+
+    # Then remove any spin specific structural info.
+    for spin in spin_loop():
+        # Delete positional information.
+        if hasattr(spin, 'pos'):
+            del spin.pos
+
+        # Delete bond vectors.
+        if hasattr(spin, 'bond_vect'):
+            del spin.bond_vect
+        if hasattr(spin, 'xh_vect'):
+            del spin.xh_vect
 
     
 def load_spins(spin_id=None, str_id=None, combine_models=True, 
ave_pos=False):




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