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tsoc
openmm
Commits
df071ec7
Commit
df071ec7
authored
Aug 12, 2015
by
Robert McGibbon
Browse files
Close PDBx file before deleting to fix windows test failure in TestPDbxFile.py
parent
5e733a33
Changes
1
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wrappers/python/tests/TestPdbxFile.py
wrappers/python/tests/TestPdbxFile.py
+2
-0
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wrappers/python/tests/TestPdbxFile.py
View file @
df071ec7
...
@@ -70,6 +70,7 @@ class TestPdbxFile(unittest.TestCase):
...
@@ -70,6 +70,7 @@ class TestPdbxFile(unittest.TestCase):
# There should only be 10 frames (0 through 9)
# There should only be 10 frames (0 through 9)
self
.
assertRaises
(
IndexError
,
lambda
:
pdb
.
getPositions
(
frame
=
10
))
self
.
assertRaises
(
IndexError
,
lambda
:
pdb
.
getPositions
(
frame
=
10
))
self
.
assertIs
(
pdb
.
topology
.
getPeriodicBoxVectors
(),
None
)
self
.
assertIs
(
pdb
.
topology
.
getPeriodicBoxVectors
(),
None
)
del
sim
os
.
unlink
(
'test.cif'
)
os
.
unlink
(
'test.cif'
)
def
assertAlmostEqualVec
(
self
,
vec1
,
vec2
,
*
args
,
**
kwargs
):
def
assertAlmostEqualVec
(
self
,
vec1
,
vec2
,
*
args
,
**
kwargs
):
...
@@ -111,6 +112,7 @@ class TestPdbxFile(unittest.TestCase):
...
@@ -111,6 +112,7 @@ class TestPdbxFile(unittest.TestCase):
self
.
assertAlmostEqualVec
(
parm
.
topology
.
getPeriodicBoxVectors
()[
2
],
self
.
assertAlmostEqualVec
(
parm
.
topology
.
getPeriodicBoxVectors
()[
2
],
pdb
.
topology
.
getPeriodicBoxVectors
()[
2
],
pdb
.
topology
.
getPeriodicBoxVectors
()[
2
],
places
=
5
)
places
=
5
)
del
sim
os
.
unlink
(
'test.cif'
)
os
.
unlink
(
'test.cif'
)
if
__name__
==
'__main__'
:
if
__name__
==
'__main__'
:
...
...
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