r8508 - /branches/multi_structure/generic_fns/structure/internal.py -- January 19, 2009 - 11:18

Author: bugman
Date: Mon Jan 19 11:18:00 2009
New Revision: 8508

URL: http://svn.gna.org/viewcvs/relax?rev=8508&view=rev
Log:
Bug fixes for bond_vectors().


Modified:
    branches/multi_structure/generic_fns/structure/internal.py

Modified: branches/multi_structure/generic_fns/structure/internal.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/multi_structure/generic_fns/structure/internal.py?rev=8508&r1=8507&r2=8508&view=diff
==============================================================================
--- branches/multi_structure/generic_fns/structure/internal.py (original)
+++ branches/multi_structure/generic_fns/structure/internal.py Mon Jan 19 
11:18:00 2009
@@ -486,9 +486,9 @@
                 atom_found = False
 
                 # Loop over all atoms.
-                for j in xrange(len(struct.atom_name)):
+                for j in xrange(len(mol.atom_name)):
                     # Skip non-matching atoms.
-                    if sel_obj and not 
sel_obj.contains_spin(struct.atom_num[j], struct.atom_name[j], 
struct.res_num[j], struct.res_name[j], self.name[i]):
+                    if sel_obj and not 
sel_obj.contains_spin(mol.atom_num[j], mol.atom_name[j], mol.res_num[j], 
mol.res_name[j], self.name[i]):
                         continue
 
                     # More than one matching atom!
@@ -509,7 +509,7 @@
                         continue
 
                     # The bond vector.
-                    vector = array(pos, float64) - array([struct.x[index], 
struct.y[index], struct.z[index]], float64)
+                    vector = array(pos, float64) - array([mol.x[index], 
mol.y[index], mol.z[index]], float64)
 
                     # Append the vector to the vectors array.
                     vectors.append(vector)