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)
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