Skip to content
GitLab
Menu
Projects
Groups
Snippets
Loading...
Help
Help
Support
Community forum
Keyboard shortcuts
?
Submit feedback
Contribute to GitLab
Sign in
Toggle navigation
Menu
Open sidebar
tsoc
openmm
Commits
0df0f462
Commit
0df0f462
authored
Feb 19, 2019
by
tic20
Browse files
out-by-one error in ForceField._TemplateData.addAtom()
parent
032c0498
Changes
1
Hide whitespace changes
Inline
Side-by-side
Showing
1 changed file
with
1 addition
and
1 deletion
+1
-1
wrappers/python/simtk/openmm/app/forcefield.py
wrappers/python/simtk/openmm/app/forcefield.py
+1
-1
No files found.
wrappers/python/simtk/openmm/app/forcefield.py
View file @
0df0f462
...
@@ -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."""
...
...
Write
Preview
Markdown
is supported
0%
Try again
or
attach a new file
.
Attach a file
Cancel
You are about to add
0
people
to the discussion. Proceed with caution.
Finish editing this message first!
Cancel
Please
register
or
sign in
to comment