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tsoc
openmm
Commits
e585fb6e
"platforms/opencl/tests/TestOpenCLCustomCVForce.cpp" did not exist on "35be4eb200b74390c3878b762c2272e2315dff24"
Commit
e585fb6e
authored
Sep 29, 2015
by
Jason Swails
Browse files
Add a simple test for CustomIntegrator.
parent
8f1a60d4
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wrappers/python/tests/TestAPIUnits.py
wrappers/python/tests/TestAPIUnits.py
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wrappers/python/tests/TestAPIUnits.py
View file @
e585fb6e
...
@@ -1201,5 +1201,16 @@ class TestAPIUnits(unittest.TestCase):
...
@@ -1201,5 +1201,16 @@ class TestAPIUnits(unittest.TestCase):
integrator
.
setStepSize
(
0.0005
)
integrator
.
setStepSize
(
0.0005
)
self
.
assertEqual
(
integrator
.
getStepSize
(),
0.0005
*
picosecond
)
self
.
assertEqual
(
integrator
.
getStepSize
(),
0.0005
*
picosecond
)
def
testCustomIntegrator
(
self
):
""" Tests the CustomIntegrator API features """
integrator
=
CustomIntegrator
(
1.0
)
self
.
assertEqual
(
integrator
.
getStepSize
(),
1.0
*
picosecond
)
self
.
assertEqual
(
integrator
.
getConstraintTolerance
(),
1e-5
)
integrator
.
setConstraintTolerance
(
1e-6
)
self
.
assertEqual
(
integrator
.
getConstraintTolerance
(),
1e-6
)
integrator
=
CustomIntegrator
(
1.0
*
femtoseconds
)
self
.
assertEqual
(
integrator
.
getStepSize
(),
1.0
*
femtoseconds
)
if
__name__
==
'__main__'
:
if
__name__
==
'__main__'
:
unittest
.
main
()
unittest
.
main
()
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