r17104 - /branches/interatomic/generic_fns/structure/scientific.py -- June 28, 2012 - 17:40

Author: bugman
Date: Thu Jun 28 17:40:26 2012
New Revision: 17104

URL: http://svn.gna.org/viewcvs/relax?rev=17104&view=rev
Log:
The Scientific Python structural object are_bonded() now uses 2.0 Angstrom as 
a cutoff radius.


Modified:
    branches/interatomic/generic_fns/structure/scientific.py

Modified: branches/interatomic/generic_fns/structure/scientific.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/interatomic/generic_fns/structure/scientific.py?rev=17104&r1=17103&r2=17104&view=diff
==============================================================================
--- branches/interatomic/generic_fns/structure/scientific.py (original)
+++ branches/interatomic/generic_fns/structure/scientific.py Thu Jun 28 
17:40:26 2012
@@ -171,8 +171,8 @@
                 # The interatomic distance.
                 dist = linalg.norm(pos2[0]-pos1[0])
 
-                # The atom is within the radius of 1.2 Angstrom.
-                if dist < 1.2:
+                # The atom is within the radius of 2.0 Angstrom.
+                if dist < 2.0:
                     return True
 
         # Not bonded.