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tsoc
openmm
Commits
bc9f1c6a
Commit
bc9f1c6a
authored
Jul 22, 2013
by
Robert McGibbon
Browse files
add flush instructions
parent
cd4b69be
Changes
1
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wrappers/python/simtk/openmm/app/statedatareporter.py
wrappers/python/simtk/openmm/app/statedatareporter.py
+2
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wrappers/python/simtk/openmm/app/statedatareporter.py
View file @
bc9f1c6a
...
@@ -109,6 +109,7 @@ class StateDataReporter(object):
...
@@ -109,6 +109,7 @@ class StateDataReporter(object):
self
.
_initializeConstants
(
simulation
)
self
.
_initializeConstants
(
simulation
)
headers
=
self
.
_constructHeaders
()
headers
=
self
.
_constructHeaders
()
print
>>
self
.
_out
,
'#"%s"'
%
(
'"'
+
self
.
_separator
+
'"'
).
join
(
headers
)
print
>>
self
.
_out
,
'#"%s"'
%
(
'"'
+
self
.
_separator
+
'"'
).
join
(
headers
)
self
.
_out
.
flush
()
self
.
_hasInitialized
=
True
self
.
_hasInitialized
=
True
# Check for errors.
# Check for errors.
...
@@ -119,6 +120,7 @@ class StateDataReporter(object):
...
@@ -119,6 +120,7 @@ class StateDataReporter(object):
# Write the values.
# Write the values.
print
>>
self
.
_out
,
self
.
_separator
.
join
(
str
(
v
)
for
v
in
values
)
print
>>
self
.
_out
,
self
.
_separator
.
join
(
str
(
v
)
for
v
in
values
)
self
.
_out
.
flush
()
def
_constructReportValues
(
self
,
simulation
,
state
):
def
_constructReportValues
(
self
,
simulation
,
state
):
"""Query the simulation for the current state of our observables of interest.
"""Query the simulation for the current state of our observables of interest.
...
...
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