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tsoc
openmm
Commits
7ea6a665
"vscode:/vscode.git/clone" did not exist on "ecc3bebc9fec50b832d398d9ebf29181e11c18e1"
Commit
7ea6a665
authored
Apr 04, 2017
by
Peter Eastman
Browse files
Fix test failure on Jenkins
parent
08e8b206
Changes
1
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3 deletions
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-3
tests/TestVirtualSites.h
tests/TestVirtualSites.h
+11
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tests/TestVirtualSites.h
View file @
7ea6a665
...
...
@@ -6,7 +6,7 @@
* Biological Structures at Stanford, funded under the NIH Roadmap for *
* Medical Research, grant U54 GM072970. See https://simtk.org. *
* *
* Portions copyright (c) 2012-201
5
Stanford University and the Authors. *
* Portions copyright (c) 2012-201
7
Stanford University and the Authors. *
* Authors: Peter Eastman *
* Contributors: *
* *
...
...
@@ -379,6 +379,14 @@ void testConservationLaws() {
int
numParticles
=
system
.
getNumParticles
();
double
initialEnergy
;
Vec3
initialMomentum
,
initialAngularMomentum
;
double
tol
=
1e-4
;
try
{
if
(
context
.
getPlatform
().
getPropertyValue
(
context
,
"Precision"
)
==
"single"
)
tol
=
0.05
;
}
catch
(...)
{
// This platform doesn't have adjustable precision.
}
for
(
int
i
=
0
;
i
<
1000
;
i
++
)
{
State
state
=
context
.
getState
(
State
::
Positions
|
State
::
Velocities
|
State
::
Forces
|
State
::
Energy
);
const
vector
<
Vec3
>&
pos
=
state
.
getPositions
();
...
...
@@ -399,14 +407,14 @@ void testConservationLaws() {
if
(
i
==
0
)
initialMomentum
=
momentum
;
else
ASSERT_EQUAL_VEC
(
initialMomentum
,
momentum
,
0.02
);
ASSERT_EQUAL_VEC
(
initialMomentum
,
momentum
,
tol
);
Vec3
angularMomentum
;
for
(
int
j
=
0
;
j
<
numParticles
;
j
++
)
angularMomentum
+=
pos
[
j
].
cross
(
vel
[
j
])
*
system
.
getParticleMass
(
j
);
if
(
i
==
0
)
initialAngularMomentum
=
angularMomentum
;
else
ASSERT_EQUAL_VEC
(
initialAngularMomentum
,
angularMomentum
,
0.05
);
ASSERT_EQUAL_VEC
(
initialAngularMomentum
,
angularMomentum
,
tol
);
integrator
.
step
(
1
);
}
}
...
...
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