Commit 0df0f462 authored by tic20's avatar tic20
Browse files

out-by-one error in ForceField._TemplateData.addAtom()

parent 032c0498
...@@ -607,7 +607,7 @@ class ForceField(object): ...@@ -607,7 +607,7 @@ class ForceField(object):
def addAtom(self, atom): def addAtom(self, atom):
self.atoms.append(atom) self.atoms.append(atom)
self.atomIndices[atom.name] = len(self.atoms) self.atomIndices[atom.name] = len(self.atoms)-1
def addBond(self, atom1, atom2): def addBond(self, atom1, atom2):
"""Add a bond between two atoms in a template given their indices in the template.""" """Add a bond between two atoms in a template given their indices in the template."""
......
Markdown is supported
0% or .
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment