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tsoc
openmm
Commits
9fe6cd74
"wrappers/python/vscode:/vscode.git/clone" did not exist on "68664c2e9af265acab55fb516cf6d7e5e4891132"
Commit
9fe6cd74
authored
Mar 14, 2015
by
kyleabeauchamp
Browse files
Amber DCD test uses tempfile now.
parent
875c973f
Changes
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wrappers/python/tests/TestAmberPrmtopFile.py
wrappers/python/tests/TestAmberPrmtopFile.py
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wrappers/python/tests/TestAmberPrmtopFile.py
View file @
9fe6cd74
import
unittest
import
os
import
tempfile
from
validateConstraints
import
*
from
simtk.openmm.app
import
*
from
simtk.openmm
import
*
...
...
@@ -291,8 +293,10 @@ class TestAmberPrmtopFile(unittest.TestCase):
simulation
.
context
.
setPositions
(
inpcrd
.
positions
)
simulation
.
context
.
setPeriodicBoxVectors
(
*
inpcrd
.
boxVectors
)
simulation
.
reporters
.
append
(
DCDReporter
(
'output.dcd'
,
1
))
# This is an explicit test for the bugs in issue #850
fname
=
tempfile
.
mktemp
(
suffix
=
'.dcd'
)
simulation
.
reporters
.
append
(
DCDReporter
(
fname
,
1
))
# This is an explicit test for the bugs in issue #850
simulation
.
step
(
5
)
os
.
remove
(
fname
)
if
__name__
==
'__main__'
:
...
...
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