Author: bugman
Date: Mon Jan 19 11:21:07 2009
New Revision: 8509
URL: http://svn.gna.org/viewcvs/relax?rev=8509&view=rev
Log:
More bug fixes for bond_vectors(). The index i no longer exists!
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=8509&r1=8508&r2=8509&view=diff
==============================================================================
--- branches/multi_structure/generic_fns/structure/internal.py (original)
+++ branches/multi_structure/generic_fns/structure/internal.py Mon Jan 19
11:21:07 2009
@@ -486,9 +486,9 @@
atom_found = False
# Loop over all atoms.
- for j in xrange(len(mol.atom_name)):
+ for i in xrange(len(mol.atom_name)):
# Skip non-matching atoms.
- 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]):
+ if sel_obj and not sel_obj.contains_spin(mol.atom_num[i],
mol.atom_name[i], mol.res_num[i], mol.res_name[i], mol.name):
continue
# More than one matching atom!
@@ -497,12 +497,12 @@
# The atom has been found, so store some info.
atom_found = True
- index = j
+ index = i
# Found the atom.
if atom_found:
# Get the atom bonded to this model/molecule/residue/atom.
- bonded_num, bonded_name, element, pos, attached_name,
warnings = self.__bonded_atom(attached_atom, index, i)
+ bonded_num, bonded_name, element, pos, attached_name,
warnings = self.__bonded_atom(attached_atom, index, mol)
# No bonded atom.
if (bonded_num, bonded_name, element) == (None, None,
None):
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