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tsoc
openmm
Commits
74940b41
Commit
74940b41
authored
Nov 12, 2018
by
peastman
Browse files
Fixed an unreliable test case
parent
ac92c086
Changes
1
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1 changed file
with
2 additions
and
1 deletion
+2
-1
tests/TestVirtualSites.h
tests/TestVirtualSites.h
+2
-1
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tests/TestVirtualSites.h
View file @
74940b41
...
@@ -219,11 +219,13 @@ Vec3 computeWeightedPosition(const vector<Vec3>& positions, const vector<double>
...
@@ -219,11 +219,13 @@ Vec3 computeWeightedPosition(const vector<Vec3>& positions, const vector<double>
void
testLocalCoordinates
(
int
numSiteParticles
)
{
void
testLocalCoordinates
(
int
numSiteParticles
)
{
vector
<
int
>
particles
;
vector
<
int
>
particles
;
vector
<
double
>
originWeights
,
xWeights
,
yWeights
;
vector
<
double
>
originWeights
,
xWeights
,
yWeights
;
Vec3
localPosition
(
0.4
,
0.3
,
0.2
);
if
(
numSiteParticles
==
2
)
{
if
(
numSiteParticles
==
2
)
{
particles
=
{
0
,
1
};
particles
=
{
0
,
1
};
originWeights
=
{
0.4
,
0.6
};
originWeights
=
{
0.4
,
0.6
};
xWeights
=
{
-
1.0
,
1.0
};
xWeights
=
{
-
1.0
,
1.0
};
yWeights
=
{
1.0
,
-
1.0
};
yWeights
=
{
1.0
,
-
1.0
};
localPosition
[
1
]
=
localPosition
[
2
]
=
0.0
;
}
}
else
if
(
numSiteParticles
==
3
)
{
else
if
(
numSiteParticles
==
3
)
{
particles
=
{
0
,
1
,
2
};
particles
=
{
0
,
1
,
2
};
...
@@ -237,7 +239,6 @@ void testLocalCoordinates(int numSiteParticles) {
...
@@ -237,7 +239,6 @@ void testLocalCoordinates(int numSiteParticles) {
xWeights
=
{
-
1.0
,
0.3
,
0.3
,
0.4
};
xWeights
=
{
-
1.0
,
0.3
,
0.3
,
0.4
};
yWeights
=
{
0.5
,
0.5
,
-
0.5
,
-
0.5
};
yWeights
=
{
0.5
,
0.5
,
-
0.5
,
-
0.5
};
}
}
const
Vec3
localPosition
(
0.4
,
0.3
,
0.2
);
System
system
;
System
system
;
for
(
int
i
=
0
;
i
<
numSiteParticles
;
i
++
)
for
(
int
i
=
0
;
i
<
numSiteParticles
;
i
++
)
system
.
addParticle
(
1.0
);
system
.
addParticle
(
1.0
);
...
...
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