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tsoc
openmm
Commits
3a356e24
Commit
3a356e24
authored
Jun 19, 2017
by
peastman
Committed by
GitHub
Jun 19, 2017
Browse files
Merge pull request #1838 from mohebifar/patch-1
Fix a typo that was preventing an error from being raised
parents
93742ae3
1be1654f
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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 @
3a356e24
...
@@ -4033,7 +4033,7 @@ class AmoebaTorsionTorsionGenerator(object):
...
@@ -4033,7 +4033,7 @@ class AmoebaTorsionTorsionGenerator(object):
# raise error if atoms E or F not found
# raise error if atoms E or F not found
if
(
atomE
==
-
1
or
atomF
==
-
1
):
if
(
atomE
==
-
1
or
atomF
==
-
1
):
outputString
=
"getChiralAtomIndex: error getting bonded partners of atomC=%s %d %s"
%
(
atomC
.
name
,
atomC
.
resi
u
de
.
index
,
atomC
.
resi
u
de
.
name
,)
outputString
=
"getChiralAtomIndex: error getting bonded partners of atomC=%s %d %s"
%
(
atomC
.
name
,
atomC
.
resid
u
e
.
index
,
atomC
.
resid
u
e
.
name
,)
raise
ValueError
(
outputString
)
raise
ValueError
(
outputString
)
# check for different type/mass between atoms E & F
# check for different type/mass between atoms E & F
...
...
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