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tsoc
openmm
Commits
c099c6d5
"wrappers/python/tests/vscode:/vscode.git/clone" did not exist on "486b97c7a815071d39b913ef4aeb173c702bc0be"
Commit
c099c6d5
authored
Mar 27, 2014
by
Robert McGibbon
Browse files
changes based on responses from @swails and @jchodera
parent
1e7300bb
Changes
1
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1 changed file
with
9 additions
and
1 deletion
+9
-1
wrappers/python/simtk/openmm/app/checkpointreporter.py
wrappers/python/simtk/openmm/app/checkpointreporter.py
+9
-1
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wrappers/python/simtk/openmm/app/checkpointreporter.py
View file @
c099c6d5
...
@@ -78,9 +78,11 @@ class CheckpointReporter(object):
...
@@ -78,9 +78,11 @@ class CheckpointReporter(object):
self
.
_reportInterval
=
reportInterval
self
.
_reportInterval
=
reportInterval
if
isinstance
(
file
,
basestring
):
if
isinstance
(
file
,
basestring
):
self
.
_out
=
open
(
file
,
'w+b'
)
self
.
_own_handle
=
true
self
.
_out
=
open
(
file
,
'w+b'
,
0
)
else
:
else
:
self
.
_out
=
file
self
.
_out
=
file
self
.
_own_handle
=
False
def
describeNextReport
(
self
,
simulation
):
def
describeNextReport
(
self
,
simulation
):
"""Get information about the next report this object will generate.
"""Get information about the next report this object will generate.
...
@@ -105,3 +107,9 @@ class CheckpointReporter(object):
...
@@ -105,3 +107,9 @@ class CheckpointReporter(object):
self
.
_out
.
seek
(
0
)
self
.
_out
.
seek
(
0
)
chk
=
simulation
.
context
.
createCheckpoint
()
chk
=
simulation
.
context
.
createCheckpoint
()
self
.
_out
.
write
(
chk
)
self
.
_out
.
write
(
chk
)
self
.
_out
.
flush
()
def
__del__
(
self
):
if
self
.
_own_handle
:
self
.
_out
.
close
()
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