mailr5526 - /1.3/generic_fns/structure/mass.py


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Posted by edward on April 10, 2008 - 11:30:
Author: bugman
Date: Thu Apr 10 11:30:21 2008
New Revision: 5526

URL: http://svn.gna.org/viewcvs/relax?rev=5526&view=rev
Log:
Fixed the atom_loop() call in centre_of_mass().


Modified:
    1.3/generic_fns/structure/mass.py

Modified: 1.3/generic_fns/structure/mass.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/generic_fns/structure/mass.py?rev=5526&r1=5525&r2=5526&view=diff
==============================================================================
--- 1.3/generic_fns/structure/mass.py (original)
+++ 1.3/generic_fns/structure/mass.py Thu Apr 10 11:30:21 2008
@@ -59,7 +59,7 @@
     M = 0.0
 
     # Loop over all atoms.
-    for mol_name, res_num, res_name, atom_num, atom_name, element, pos in 
cdp.structure.atom_loop(mol_name=True, res_num=True, res_name=True, 
atom_num=True, atom_name=True, element=True, pos=True):
+    for mol_name, res_num, res_name, atom_num, atom_name, element, pos in 
cdp.structure.atom_loop(mol_name_flag=True, res_num_flag=True, 
res_name_flag=True, atom_num_flag=True, atom_name_flag=True, 
element_flag=True, pos_flag=True):
         # Get the corresponding molecule container.
         if mol_name == None:
             mol_cont = cdp.mol[0]




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