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tsoc
openmm
Commits
15f58f1a
Commit
15f58f1a
authored
Mar 14, 2012
by
Peter Eastman
Browse files
Added missing return values
parent
60d22019
Changes
14
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14 changed files
with
14 additions
and
0 deletions
+14
-0
openmmapi/src/CMAPTorsionForceImpl.cpp
openmmapi/src/CMAPTorsionForceImpl.cpp
+1
-0
openmmapi/src/CustomAngleForceImpl.cpp
openmmapi/src/CustomAngleForceImpl.cpp
+1
-0
openmmapi/src/CustomBondForceImpl.cpp
openmmapi/src/CustomBondForceImpl.cpp
+1
-0
openmmapi/src/CustomExternalForceImpl.cpp
openmmapi/src/CustomExternalForceImpl.cpp
+1
-0
openmmapi/src/CustomGBForceImpl.cpp
openmmapi/src/CustomGBForceImpl.cpp
+1
-0
openmmapi/src/CustomHbondForceImpl.cpp
openmmapi/src/CustomHbondForceImpl.cpp
+1
-0
openmmapi/src/CustomNonbondedForceImpl.cpp
openmmapi/src/CustomNonbondedForceImpl.cpp
+1
-0
openmmapi/src/CustomTorsionForceImpl.cpp
openmmapi/src/CustomTorsionForceImpl.cpp
+1
-0
openmmapi/src/GBSAOBCForceImpl.cpp
openmmapi/src/GBSAOBCForceImpl.cpp
+1
-0
openmmapi/src/GBVIForceImpl.cpp
openmmapi/src/GBVIForceImpl.cpp
+1
-0
openmmapi/src/HarmonicAngleForceImpl.cpp
openmmapi/src/HarmonicAngleForceImpl.cpp
+1
-0
openmmapi/src/HarmonicBondForceImpl.cpp
openmmapi/src/HarmonicBondForceImpl.cpp
+1
-0
openmmapi/src/PeriodicTorsionForceImpl.cpp
openmmapi/src/PeriodicTorsionForceImpl.cpp
+1
-0
openmmapi/src/RBTorsionForceImpl.cpp
openmmapi/src/RBTorsionForceImpl.cpp
+1
-0
No files found.
openmmapi/src/CMAPTorsionForceImpl.cpp
View file @
15f58f1a
...
...
@@ -55,6 +55,7 @@ void CMAPTorsionForceImpl::initialize(ContextImpl& context) {
double
CMAPTorsionForceImpl
::
calcForcesAndEnergy
(
ContextImpl
&
context
,
bool
includeForces
,
bool
includeEnergy
,
int
groups
)
{
if
((
groups
&
(
1
<<
owner
.
getForceGroup
()))
!=
0
)
return
dynamic_cast
<
CalcCMAPTorsionForceKernel
&>
(
kernel
.
getImpl
()).
execute
(
context
,
includeForces
,
includeEnergy
);
return
0.0
;
}
vector
<
string
>
CMAPTorsionForceImpl
::
getKernelNames
()
{
...
...
openmmapi/src/CustomAngleForceImpl.cpp
View file @
15f58f1a
...
...
@@ -91,6 +91,7 @@ void CustomAngleForceImpl::initialize(ContextImpl& context) {
double
CustomAngleForceImpl
::
calcForcesAndEnergy
(
ContextImpl
&
context
,
bool
includeForces
,
bool
includeEnergy
,
int
groups
)
{
if
((
groups
&
(
1
<<
owner
.
getForceGroup
()))
!=
0
)
return
dynamic_cast
<
CalcCustomAngleForceKernel
&>
(
kernel
.
getImpl
()).
execute
(
context
,
includeForces
,
includeEnergy
);
return
0.0
;
}
vector
<
string
>
CustomAngleForceImpl
::
getKernelNames
()
{
...
...
openmmapi/src/CustomBondForceImpl.cpp
View file @
15f58f1a
...
...
@@ -85,6 +85,7 @@ void CustomBondForceImpl::initialize(ContextImpl& context) {
double
CustomBondForceImpl
::
calcForcesAndEnergy
(
ContextImpl
&
context
,
bool
includeForces
,
bool
includeEnergy
,
int
groups
)
{
if
((
groups
&
(
1
<<
owner
.
getForceGroup
()))
!=
0
)
return
dynamic_cast
<
CalcCustomBondForceKernel
&>
(
kernel
.
getImpl
()).
execute
(
context
,
includeForces
,
includeEnergy
);
return
0.0
;
}
vector
<
string
>
CustomBondForceImpl
::
getKernelNames
()
{
...
...
openmmapi/src/CustomExternalForceImpl.cpp
View file @
15f58f1a
...
...
@@ -79,6 +79,7 @@ void CustomExternalForceImpl::initialize(ContextImpl& context) {
double
CustomExternalForceImpl
::
calcForcesAndEnergy
(
ContextImpl
&
context
,
bool
includeForces
,
bool
includeEnergy
,
int
groups
)
{
if
((
groups
&
(
1
<<
owner
.
getForceGroup
()))
!=
0
)
return
dynamic_cast
<
CalcCustomExternalForceKernel
&>
(
kernel
.
getImpl
()).
execute
(
context
,
includeForces
,
includeEnergy
);
return
0.0
;
}
vector
<
string
>
CustomExternalForceImpl
::
getKernelNames
()
{
...
...
openmmapi/src/CustomGBForceImpl.cpp
View file @
15f58f1a
...
...
@@ -108,6 +108,7 @@ void CustomGBForceImpl::initialize(ContextImpl& context) {
double
CustomGBForceImpl
::
calcForcesAndEnergy
(
ContextImpl
&
context
,
bool
includeForces
,
bool
includeEnergy
,
int
groups
)
{
if
((
groups
&
(
1
<<
owner
.
getForceGroup
()))
!=
0
)
return
dynamic_cast
<
CalcCustomGBForceKernel
&>
(
kernel
.
getImpl
()).
execute
(
context
,
includeForces
,
includeEnergy
);
return
0.0
;
}
vector
<
string
>
CustomGBForceImpl
::
getKernelNames
()
{
...
...
openmmapi/src/CustomHbondForceImpl.cpp
View file @
15f58f1a
...
...
@@ -181,6 +181,7 @@ void CustomHbondForceImpl::initialize(ContextImpl& context) {
double
CustomHbondForceImpl
::
calcForcesAndEnergy
(
ContextImpl
&
context
,
bool
includeForces
,
bool
includeEnergy
,
int
groups
)
{
if
((
groups
&
(
1
<<
owner
.
getForceGroup
()))
!=
0
)
return
dynamic_cast
<
CalcCustomHbondForceKernel
&>
(
kernel
.
getImpl
()).
execute
(
context
,
includeForces
,
includeEnergy
);
return
0.0
;
}
vector
<
string
>
CustomHbondForceImpl
::
getKernelNames
()
{
...
...
openmmapi/src/CustomNonbondedForceImpl.cpp
View file @
15f58f1a
...
...
@@ -108,6 +108,7 @@ void CustomNonbondedForceImpl::initialize(ContextImpl& context) {
double
CustomNonbondedForceImpl
::
calcForcesAndEnergy
(
ContextImpl
&
context
,
bool
includeForces
,
bool
includeEnergy
,
int
groups
)
{
if
((
groups
&
(
1
<<
owner
.
getForceGroup
()))
!=
0
)
return
dynamic_cast
<
CalcCustomNonbondedForceKernel
&>
(
kernel
.
getImpl
()).
execute
(
context
,
includeForces
,
includeEnergy
);
return
0.0
;
}
vector
<
string
>
CustomNonbondedForceImpl
::
getKernelNames
()
{
...
...
openmmapi/src/CustomTorsionForceImpl.cpp
View file @
15f58f1a
...
...
@@ -97,6 +97,7 @@ void CustomTorsionForceImpl::initialize(ContextImpl& context) {
double
CustomTorsionForceImpl
::
calcForcesAndEnergy
(
ContextImpl
&
context
,
bool
includeForces
,
bool
includeEnergy
,
int
groups
)
{
if
((
groups
&
(
1
<<
owner
.
getForceGroup
()))
!=
0
)
return
dynamic_cast
<
CalcCustomTorsionForceKernel
&>
(
kernel
.
getImpl
()).
execute
(
context
,
includeForces
,
includeEnergy
);
return
0.0
;
}
vector
<
string
>
CustomTorsionForceImpl
::
getKernelNames
()
{
...
...
openmmapi/src/GBSAOBCForceImpl.cpp
View file @
15f58f1a
...
...
@@ -58,6 +58,7 @@ void GBSAOBCForceImpl::initialize(ContextImpl& context) {
double
GBSAOBCForceImpl
::
calcForcesAndEnergy
(
ContextImpl
&
context
,
bool
includeForces
,
bool
includeEnergy
,
int
groups
)
{
if
((
groups
&
(
1
<<
owner
.
getForceGroup
()))
!=
0
)
return
dynamic_cast
<
CalcGBSAOBCForceKernel
&>
(
kernel
.
getImpl
()).
execute
(
context
,
includeForces
,
includeEnergy
);
return
0.0
;
}
std
::
vector
<
std
::
string
>
GBSAOBCForceImpl
::
getKernelNames
()
{
...
...
openmmapi/src/GBVIForceImpl.cpp
View file @
15f58f1a
...
...
@@ -242,6 +242,7 @@ void GBVIForceImpl::findScaledRadii( int numberOfParticles, const std::vector<st
double
GBVIForceImpl
::
calcForcesAndEnergy
(
ContextImpl
&
context
,
bool
includeForces
,
bool
includeEnergy
,
int
groups
)
{
if
((
groups
&
(
1
<<
owner
.
getForceGroup
()))
!=
0
)
return
dynamic_cast
<
CalcGBVIForceKernel
&>
(
kernel
.
getImpl
()).
execute
(
context
,
includeForces
,
includeEnergy
);
return
0.0
;
}
std
::
vector
<
std
::
string
>
GBVIForceImpl
::
getKernelNames
()
{
...
...
openmmapi/src/HarmonicAngleForceImpl.cpp
View file @
15f58f1a
...
...
@@ -52,6 +52,7 @@ void HarmonicAngleForceImpl::initialize(ContextImpl& context) {
double
HarmonicAngleForceImpl
::
calcForcesAndEnergy
(
ContextImpl
&
context
,
bool
includeForces
,
bool
includeEnergy
,
int
groups
)
{
if
((
groups
&
(
1
<<
owner
.
getForceGroup
()))
!=
0
)
return
dynamic_cast
<
CalcHarmonicAngleForceKernel
&>
(
kernel
.
getImpl
()).
execute
(
context
,
includeForces
,
includeEnergy
);
return
0.0
;
}
std
::
vector
<
std
::
string
>
HarmonicAngleForceImpl
::
getKernelNames
()
{
...
...
openmmapi/src/HarmonicBondForceImpl.cpp
View file @
15f58f1a
...
...
@@ -52,6 +52,7 @@ void HarmonicBondForceImpl::initialize(ContextImpl& context) {
double
HarmonicBondForceImpl
::
calcForcesAndEnergy
(
ContextImpl
&
context
,
bool
includeForces
,
bool
includeEnergy
,
int
groups
)
{
if
((
groups
&
(
1
<<
owner
.
getForceGroup
()))
!=
0
)
return
dynamic_cast
<
CalcHarmonicBondForceKernel
&>
(
kernel
.
getImpl
()).
execute
(
context
,
includeForces
,
includeEnergy
);
return
0.0
;
}
std
::
vector
<
std
::
string
>
HarmonicBondForceImpl
::
getKernelNames
()
{
...
...
openmmapi/src/PeriodicTorsionForceImpl.cpp
View file @
15f58f1a
...
...
@@ -52,6 +52,7 @@ void PeriodicTorsionForceImpl::initialize(ContextImpl& context) {
double
PeriodicTorsionForceImpl
::
calcForcesAndEnergy
(
ContextImpl
&
context
,
bool
includeForces
,
bool
includeEnergy
,
int
groups
)
{
if
((
groups
&
(
1
<<
owner
.
getForceGroup
()))
!=
0
)
return
dynamic_cast
<
CalcPeriodicTorsionForceKernel
&>
(
kernel
.
getImpl
()).
execute
(
context
,
includeForces
,
includeEnergy
);
return
0.0
;
}
std
::
vector
<
std
::
string
>
PeriodicTorsionForceImpl
::
getKernelNames
()
{
...
...
openmmapi/src/RBTorsionForceImpl.cpp
View file @
15f58f1a
...
...
@@ -52,6 +52,7 @@ void RBTorsionForceImpl::initialize(ContextImpl& context) {
double
RBTorsionForceImpl
::
calcForcesAndEnergy
(
ContextImpl
&
context
,
bool
includeForces
,
bool
includeEnergy
,
int
groups
)
{
if
((
groups
&
(
1
<<
owner
.
getForceGroup
()))
!=
0
)
return
dynamic_cast
<
CalcRBTorsionForceKernel
&>
(
kernel
.
getImpl
()).
execute
(
context
,
includeForces
,
includeEnergy
);
return
0.0
;
}
std
::
vector
<
std
::
string
>
RBTorsionForceImpl
::
getKernelNames
()
{
...
...
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