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tsoc
openmm
Commits
c7f629ac
Commit
c7f629ac
authored
Sep 04, 2014
by
peastman
Browse files
Made test cases more robust
parent
6a38039f
Changes
4
Hide whitespace changes
Inline
Side-by-side
Showing
4 changed files
with
28 additions
and
28 deletions
+28
-28
platforms/cpu/tests/TestCpuCustomManyParticleForce.cpp
platforms/cpu/tests/TestCpuCustomManyParticleForce.cpp
+7
-7
platforms/cuda/tests/TestCudaCustomManyParticleForce.cpp
platforms/cuda/tests/TestCudaCustomManyParticleForce.cpp
+7
-7
platforms/opencl/tests/TestOpenCLCustomManyParticleForce.cpp
platforms/opencl/tests/TestOpenCLCustomManyParticleForce.cpp
+7
-7
platforms/reference/tests/TestReferenceCustomManyParticleForce.cpp
.../reference/tests/TestReferenceCustomManyParticleForce.cpp
+7
-7
No files found.
platforms/cpu/tests/TestCpuCustomManyParticleForce.cpp
View file @
c7f629ac
...
...
@@ -592,9 +592,9 @@ void testCentralParticleModeNoCutoff() {
force
->
addParticle
(
params
);
vector
<
Vec3
>
positions
;
positions
.
push_back
(
Vec3
(
0
,
0
,
0
));
positions
.
push_back
(
Vec3
(
1
,
0
,
0
));
positions
.
push_back
(
Vec3
(
0
,
1
.
1
,
0.3
));
positions
.
push_back
(
Vec3
(
0.4
,
0
,
-
0.8
));
positions
.
push_back
(
Vec3
(
0.
1
,
0
,
0
));
positions
.
push_back
(
Vec3
(
0
,
0.
11
,
0.
0
3
));
positions
.
push_back
(
Vec3
(
0.
0
4
,
0
,
-
0.
0
8
));
int
sets
[
12
][
3
]
=
{{
0
,
1
,
2
},
{
0
,
1
,
3
},
{
0
,
2
,
3
},
{
1
,
0
,
2
},
{
1
,
0
,
3
},
{
1
,
2
,
3
},
{
2
,
0
,
1
},
{
2
,
0
,
3
},
{
2
,
1
,
3
},
{
3
,
0
,
1
},
{
3
,
0
,
2
},
{
3
,
1
,
2
}};
vector
<
const
int
*>
expectedSets
(
&
sets
[
0
],
&
sets
[
12
]);
validateStillingerWeber
(
force
,
positions
,
expectedSets
,
2.0
);
...
...
@@ -611,7 +611,7 @@ void testCentralParticleModeCutoff() {
force
->
addGlobalParameter
(
"sigma"
,
0.23925
);
force
->
addGlobalParameter
(
"gamma"
,
1.2
);
force
->
setNonbondedMethod
(
CustomManyParticleForce
::
CutoffNonPeriodic
);
force
->
setCutoffDistance
(
1
.
55
);
force
->
setCutoffDistance
(
0.
155
);
vector
<
double
>
params
;
force
->
addParticle
(
params
);
force
->
addParticle
(
params
);
...
...
@@ -619,9 +619,9 @@ void testCentralParticleModeCutoff() {
force
->
addParticle
(
params
);
vector
<
Vec3
>
positions
;
positions
.
push_back
(
Vec3
(
0
,
0
,
0
));
positions
.
push_back
(
Vec3
(
1
,
0
,
0
));
positions
.
push_back
(
Vec3
(
0
,
1
.
1
,
0.3
));
positions
.
push_back
(
Vec3
(
0.4
,
0
,
-
0.8
));
positions
.
push_back
(
Vec3
(
0.
1
,
0
,
0
));
positions
.
push_back
(
Vec3
(
0
,
0.
11
,
0.
0
3
));
positions
.
push_back
(
Vec3
(
0.
0
4
,
0
,
-
0.
0
8
));
int
sets
[
8
][
3
]
=
{{
0
,
1
,
2
},
{
0
,
1
,
3
},
{
0
,
2
,
3
},
{
1
,
0
,
2
},
{
1
,
0
,
3
},
{
1
,
2
,
3
},
{
2
,
0
,
1
},
{
3
,
0
,
1
}};
vector
<
const
int
*>
expectedSets
(
&
sets
[
0
],
&
sets
[
8
]);
validateStillingerWeber
(
force
,
positions
,
expectedSets
,
2.0
);
...
...
platforms/cuda/tests/TestCudaCustomManyParticleForce.cpp
View file @
c7f629ac
...
...
@@ -587,9 +587,9 @@ void testCentralParticleModeNoCutoff() {
force
->
addParticle
(
params
);
vector
<
Vec3
>
positions
;
positions
.
push_back
(
Vec3
(
0
,
0
,
0
));
positions
.
push_back
(
Vec3
(
1
,
0
,
0
));
positions
.
push_back
(
Vec3
(
0
,
1
.
1
,
0.3
));
positions
.
push_back
(
Vec3
(
0.4
,
0
,
-
0.8
));
positions
.
push_back
(
Vec3
(
0.
1
,
0
,
0
));
positions
.
push_back
(
Vec3
(
0
,
0.
11
,
0.
0
3
));
positions
.
push_back
(
Vec3
(
0.
0
4
,
0
,
-
0.
0
8
));
int
sets
[
12
][
3
]
=
{{
0
,
1
,
2
},
{
0
,
1
,
3
},
{
0
,
2
,
3
},
{
1
,
0
,
2
},
{
1
,
0
,
3
},
{
1
,
2
,
3
},
{
2
,
0
,
1
},
{
2
,
0
,
3
},
{
2
,
1
,
3
},
{
3
,
0
,
1
},
{
3
,
0
,
2
},
{
3
,
1
,
2
}};
vector
<
const
int
*>
expectedSets
(
&
sets
[
0
],
&
sets
[
12
]);
validateStillingerWeber
(
force
,
positions
,
expectedSets
,
2.0
);
...
...
@@ -606,7 +606,7 @@ void testCentralParticleModeCutoff() {
force
->
addGlobalParameter
(
"sigma"
,
0.23925
);
force
->
addGlobalParameter
(
"gamma"
,
1.2
);
force
->
setNonbondedMethod
(
CustomManyParticleForce
::
CutoffNonPeriodic
);
force
->
setCutoffDistance
(
1
.
55
);
force
->
setCutoffDistance
(
0.
155
);
vector
<
double
>
params
;
force
->
addParticle
(
params
);
force
->
addParticle
(
params
);
...
...
@@ -614,9 +614,9 @@ void testCentralParticleModeCutoff() {
force
->
addParticle
(
params
);
vector
<
Vec3
>
positions
;
positions
.
push_back
(
Vec3
(
0
,
0
,
0
));
positions
.
push_back
(
Vec3
(
1
,
0
,
0
));
positions
.
push_back
(
Vec3
(
0
,
1
.
1
,
0.3
));
positions
.
push_back
(
Vec3
(
0.4
,
0
,
-
0.8
));
positions
.
push_back
(
Vec3
(
0.
1
,
0
,
0
));
positions
.
push_back
(
Vec3
(
0
,
0.
11
,
0.
0
3
));
positions
.
push_back
(
Vec3
(
0.
0
4
,
0
,
-
0.
0
8
));
int
sets
[
8
][
3
]
=
{{
0
,
1
,
2
},
{
0
,
1
,
3
},
{
0
,
2
,
3
},
{
1
,
0
,
2
},
{
1
,
0
,
3
},
{
1
,
2
,
3
},
{
2
,
0
,
1
},
{
3
,
0
,
1
}};
vector
<
const
int
*>
expectedSets
(
&
sets
[
0
],
&
sets
[
8
]);
validateStillingerWeber
(
force
,
positions
,
expectedSets
,
2.0
);
...
...
platforms/opencl/tests/TestOpenCLCustomManyParticleForce.cpp
View file @
c7f629ac
...
...
@@ -587,9 +587,9 @@ void testCentralParticleModeNoCutoff() {
force
->
addParticle
(
params
);
vector
<
Vec3
>
positions
;
positions
.
push_back
(
Vec3
(
0
,
0
,
0
));
positions
.
push_back
(
Vec3
(
1
,
0
,
0
));
positions
.
push_back
(
Vec3
(
0
,
1
.
1
,
0.3
));
positions
.
push_back
(
Vec3
(
0.4
,
0
,
-
0.8
));
positions
.
push_back
(
Vec3
(
0.
1
,
0
,
0
));
positions
.
push_back
(
Vec3
(
0
,
0.
11
,
0.
0
3
));
positions
.
push_back
(
Vec3
(
0.
0
4
,
0
,
-
0.
0
8
));
int
sets
[
12
][
3
]
=
{{
0
,
1
,
2
},
{
0
,
1
,
3
},
{
0
,
2
,
3
},
{
1
,
0
,
2
},
{
1
,
0
,
3
},
{
1
,
2
,
3
},
{
2
,
0
,
1
},
{
2
,
0
,
3
},
{
2
,
1
,
3
},
{
3
,
0
,
1
},
{
3
,
0
,
2
},
{
3
,
1
,
2
}};
vector
<
const
int
*>
expectedSets
(
&
sets
[
0
],
&
sets
[
12
]);
validateStillingerWeber
(
force
,
positions
,
expectedSets
,
2.0
);
...
...
@@ -606,7 +606,7 @@ void testCentralParticleModeCutoff() {
force
->
addGlobalParameter
(
"sigma"
,
0.23925
);
force
->
addGlobalParameter
(
"gamma"
,
1.2
);
force
->
setNonbondedMethod
(
CustomManyParticleForce
::
CutoffNonPeriodic
);
force
->
setCutoffDistance
(
1
.
55
);
force
->
setCutoffDistance
(
0.
155
);
vector
<
double
>
params
;
force
->
addParticle
(
params
);
force
->
addParticle
(
params
);
...
...
@@ -614,9 +614,9 @@ void testCentralParticleModeCutoff() {
force
->
addParticle
(
params
);
vector
<
Vec3
>
positions
;
positions
.
push_back
(
Vec3
(
0
,
0
,
0
));
positions
.
push_back
(
Vec3
(
1
,
0
,
0
));
positions
.
push_back
(
Vec3
(
0
,
1
.
1
,
0.3
));
positions
.
push_back
(
Vec3
(
0.4
,
0
,
-
0.8
));
positions
.
push_back
(
Vec3
(
0.
1
,
0
,
0
));
positions
.
push_back
(
Vec3
(
0
,
0.
11
,
0.
0
3
));
positions
.
push_back
(
Vec3
(
0.
0
4
,
0
,
-
0.
0
8
));
int
sets
[
8
][
3
]
=
{{
0
,
1
,
2
},
{
0
,
1
,
3
},
{
0
,
2
,
3
},
{
1
,
0
,
2
},
{
1
,
0
,
3
},
{
1
,
2
,
3
},
{
2
,
0
,
1
},
{
3
,
0
,
1
}};
vector
<
const
int
*>
expectedSets
(
&
sets
[
0
],
&
sets
[
8
]);
validateStillingerWeber
(
force
,
positions
,
expectedSets
,
2.0
);
...
...
platforms/reference/tests/TestReferenceCustomManyParticleForce.cpp
View file @
c7f629ac
...
...
@@ -552,9 +552,9 @@ void testCentralParticleModeNoCutoff() {
force
->
addParticle
(
params
);
vector
<
Vec3
>
positions
;
positions
.
push_back
(
Vec3
(
0
,
0
,
0
));
positions
.
push_back
(
Vec3
(
1
,
0
,
0
));
positions
.
push_back
(
Vec3
(
0
,
1
.
1
,
0.3
));
positions
.
push_back
(
Vec3
(
0.4
,
0
,
-
0.8
));
positions
.
push_back
(
Vec3
(
0.
1
,
0
,
0
));
positions
.
push_back
(
Vec3
(
0
,
0.
11
,
0.
0
3
));
positions
.
push_back
(
Vec3
(
0.
0
4
,
0
,
-
0.
0
8
));
int
sets
[
12
][
3
]
=
{{
0
,
1
,
2
},
{
0
,
1
,
3
},
{
0
,
2
,
3
},
{
1
,
0
,
2
},
{
1
,
0
,
3
},
{
1
,
2
,
3
},
{
2
,
0
,
1
},
{
2
,
0
,
3
},
{
2
,
1
,
3
},
{
3
,
0
,
1
},
{
3
,
0
,
2
},
{
3
,
1
,
2
}};
vector
<
const
int
*>
expectedSets
(
&
sets
[
0
],
&
sets
[
12
]);
validateStillingerWeber
(
force
,
positions
,
expectedSets
,
2.0
);
...
...
@@ -571,7 +571,7 @@ void testCentralParticleModeCutoff() {
force
->
addGlobalParameter
(
"sigma"
,
0.23925
);
force
->
addGlobalParameter
(
"gamma"
,
1.2
);
force
->
setNonbondedMethod
(
CustomManyParticleForce
::
CutoffNonPeriodic
);
force
->
setCutoffDistance
(
1
.
55
);
force
->
setCutoffDistance
(
0.
155
);
vector
<
double
>
params
;
force
->
addParticle
(
params
);
force
->
addParticle
(
params
);
...
...
@@ -579,9 +579,9 @@ void testCentralParticleModeCutoff() {
force
->
addParticle
(
params
);
vector
<
Vec3
>
positions
;
positions
.
push_back
(
Vec3
(
0
,
0
,
0
));
positions
.
push_back
(
Vec3
(
1
,
0
,
0
));
positions
.
push_back
(
Vec3
(
0
,
1
.
1
,
0.3
));
positions
.
push_back
(
Vec3
(
0.4
,
0
,
-
0.8
));
positions
.
push_back
(
Vec3
(
0.
1
,
0
,
0
));
positions
.
push_back
(
Vec3
(
0
,
0.
11
,
0.
0
3
));
positions
.
push_back
(
Vec3
(
0.
0
4
,
0
,
-
0.
0
8
));
int
sets
[
8
][
3
]
=
{{
0
,
1
,
2
},
{
0
,
1
,
3
},
{
0
,
2
,
3
},
{
1
,
0
,
2
},
{
1
,
0
,
3
},
{
1
,
2
,
3
},
{
2
,
0
,
1
},
{
3
,
0
,
1
}};
vector
<
const
int
*>
expectedSets
(
&
sets
[
0
],
&
sets
[
8
]);
validateStillingerWeber
(
force
,
positions
,
expectedSets
,
2.0
);
...
...
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