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tsoc
openmm
Commits
68eb50bd
Commit
68eb50bd
authored
Jun 04, 2020
by
peastman
Browse files
Fixed test case
parent
ff4c490e
Changes
1
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wrappers/python/tests/TestPdbFile.py
wrappers/python/tests/TestPdbFile.py
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wrappers/python/tests/TestPdbFile.py
View file @
68eb50bd
...
@@ -80,7 +80,7 @@ class TestPdbFile(unittest.TestCase):
...
@@ -80,7 +80,7 @@ class TestPdbFile(unittest.TestCase):
output
=
StringIO
()
output
=
StringIO
()
PDBFile
.
writeFile
(
pdb
.
topology
,
pdb
.
positions
,
output
)
PDBFile
.
writeFile
(
pdb
.
topology
,
pdb
.
positions
,
output
)
input
=
StringIO
(
output
.
getvalue
())
input
=
StringIO
(
output
.
getvalue
())
pdb
=
PDBFile
(
input
,
extraParticleIdentifier
=
''
)
pdb
=
PDBFile
(
input
)
for
atom
in
pdb
.
topology
.
atoms
():
for
atom
in
pdb
.
topology
.
atoms
():
if
atom
.
index
>
2
:
if
atom
.
index
>
2
:
self
.
assertEqual
(
None
,
atom
.
element
)
self
.
assertEqual
(
None
,
atom
.
element
)
...
...
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