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tsoc
openmm
Commits
f6cbe7d6
Unverified
Commit
f6cbe7d6
authored
Jul 25, 2018
by
peastman
Committed by
GitHub
Jul 25, 2018
Browse files
Merge pull request #2134 from stnma7e/master
minor fix for a NameError in getAtomIndexByName
parents
fdb501e3
e1c200ba
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wrappers/python/simtk/openmm/app/forcefield.py
wrappers/python/simtk/openmm/app/forcefield.py
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wrappers/python/simtk/openmm/app/forcefield.py
View file @
f6cbe7d6
...
...
@@ -601,7 +601,7 @@ class ForceField(object):
# Provide a helpful error message if atom name not found.
msg
=
"Atom name '%s' not found in residue template '%s'.
\n
"
%
(
atom_name
,
self
.
name
)
msg
+=
"Possible atom names are: %s"
%
str
(
atomIndices
.
keys
(
))
msg
+=
"Possible atom names are: %s"
%
str
(
list
(
map
(
lambda
x
:
x
.
name
,
self
.
atoms
)
))
raise
ValueError
(
msg
)
def
addBond
(
self
,
atom1
,
atom2
):
...
...
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