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tsoc
openmm
Commits
599a2cda
Commit
599a2cda
authored
Sep 21, 2016
by
peastman
Browse files
updateParametersInContext() causes stateChanged() to be called
parent
10b51d25
Changes
29
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9 changed files
with
9 additions
and
0 deletions
+9
-0
plugins/amoeba/openmmapi/src/AmoebaAngleForceImpl.cpp
plugins/amoeba/openmmapi/src/AmoebaAngleForceImpl.cpp
+1
-0
plugins/amoeba/openmmapi/src/AmoebaBondForceImpl.cpp
plugins/amoeba/openmmapi/src/AmoebaBondForceImpl.cpp
+1
-0
plugins/amoeba/openmmapi/src/AmoebaGeneralizedKirkwoodForceImpl.cpp
...oeba/openmmapi/src/AmoebaGeneralizedKirkwoodForceImpl.cpp
+1
-0
plugins/amoeba/openmmapi/src/AmoebaInPlaneAngleForceImpl.cpp
plugins/amoeba/openmmapi/src/AmoebaInPlaneAngleForceImpl.cpp
+1
-0
plugins/amoeba/openmmapi/src/AmoebaMultipoleForceImpl.cpp
plugins/amoeba/openmmapi/src/AmoebaMultipoleForceImpl.cpp
+1
-0
plugins/amoeba/openmmapi/src/AmoebaOutOfPlaneBendForceImpl.cpp
...ns/amoeba/openmmapi/src/AmoebaOutOfPlaneBendForceImpl.cpp
+1
-0
plugins/amoeba/openmmapi/src/AmoebaPiTorsionForceImpl.cpp
plugins/amoeba/openmmapi/src/AmoebaPiTorsionForceImpl.cpp
+1
-0
plugins/amoeba/openmmapi/src/AmoebaStretchBendForceImpl.cpp
plugins/amoeba/openmmapi/src/AmoebaStretchBendForceImpl.cpp
+1
-0
plugins/drude/openmmapi/src/DrudeForceImpl.cpp
plugins/drude/openmmapi/src/DrudeForceImpl.cpp
+1
-0
No files found.
plugins/amoeba/openmmapi/src/AmoebaAngleForceImpl.cpp
View file @
599a2cda
...
@@ -64,4 +64,5 @@ std::vector<std::string> AmoebaAngleForceImpl::getKernelNames() {
...
@@ -64,4 +64,5 @@ std::vector<std::string> AmoebaAngleForceImpl::getKernelNames() {
void
AmoebaAngleForceImpl
::
updateParametersInContext
(
ContextImpl
&
context
)
{
void
AmoebaAngleForceImpl
::
updateParametersInContext
(
ContextImpl
&
context
)
{
kernel
.
getAs
<
CalcAmoebaAngleForceKernel
>
().
copyParametersToContext
(
context
,
owner
);
kernel
.
getAs
<
CalcAmoebaAngleForceKernel
>
().
copyParametersToContext
(
context
,
owner
);
context
.
systemChanged
();
}
}
plugins/amoeba/openmmapi/src/AmoebaBondForceImpl.cpp
View file @
599a2cda
...
@@ -75,4 +75,5 @@ vector<pair<int, int> > AmoebaBondForceImpl::getBondedParticles() const {
...
@@ -75,4 +75,5 @@ vector<pair<int, int> > AmoebaBondForceImpl::getBondedParticles() const {
void
AmoebaBondForceImpl
::
updateParametersInContext
(
ContextImpl
&
context
)
{
void
AmoebaBondForceImpl
::
updateParametersInContext
(
ContextImpl
&
context
)
{
kernel
.
getAs
<
CalcAmoebaBondForceKernel
>
().
copyParametersToContext
(
context
,
owner
);
kernel
.
getAs
<
CalcAmoebaBondForceKernel
>
().
copyParametersToContext
(
context
,
owner
);
context
.
systemChanged
();
}
}
plugins/amoeba/openmmapi/src/AmoebaGeneralizedKirkwoodForceImpl.cpp
View file @
599a2cda
...
@@ -66,4 +66,5 @@ std::vector<std::string> AmoebaGeneralizedKirkwoodForceImpl::getKernelNames() {
...
@@ -66,4 +66,5 @@ std::vector<std::string> AmoebaGeneralizedKirkwoodForceImpl::getKernelNames() {
void
AmoebaGeneralizedKirkwoodForceImpl
::
updateParametersInContext
(
ContextImpl
&
context
)
{
void
AmoebaGeneralizedKirkwoodForceImpl
::
updateParametersInContext
(
ContextImpl
&
context
)
{
kernel
.
getAs
<
CalcAmoebaGeneralizedKirkwoodForceKernel
>
().
copyParametersToContext
(
context
,
owner
);
kernel
.
getAs
<
CalcAmoebaGeneralizedKirkwoodForceKernel
>
().
copyParametersToContext
(
context
,
owner
);
context
.
systemChanged
();
}
}
plugins/amoeba/openmmapi/src/AmoebaInPlaneAngleForceImpl.cpp
View file @
599a2cda
...
@@ -64,4 +64,5 @@ std::vector<std::string> AmoebaInPlaneAngleForceImpl::getKernelNames() {
...
@@ -64,4 +64,5 @@ std::vector<std::string> AmoebaInPlaneAngleForceImpl::getKernelNames() {
void
AmoebaInPlaneAngleForceImpl
::
updateParametersInContext
(
ContextImpl
&
context
)
{
void
AmoebaInPlaneAngleForceImpl
::
updateParametersInContext
(
ContextImpl
&
context
)
{
kernel
.
getAs
<
CalcAmoebaInPlaneAngleForceKernel
>
().
copyParametersToContext
(
context
,
owner
);
kernel
.
getAs
<
CalcAmoebaInPlaneAngleForceKernel
>
().
copyParametersToContext
(
context
,
owner
);
context
.
systemChanged
();
}
}
plugins/amoeba/openmmapi/src/AmoebaMultipoleForceImpl.cpp
View file @
599a2cda
...
@@ -206,6 +206,7 @@ void AmoebaMultipoleForceImpl::getSystemMultipoleMoments(ContextImpl& context, s
...
@@ -206,6 +206,7 @@ void AmoebaMultipoleForceImpl::getSystemMultipoleMoments(ContextImpl& context, s
void
AmoebaMultipoleForceImpl
::
updateParametersInContext
(
ContextImpl
&
context
)
{
void
AmoebaMultipoleForceImpl
::
updateParametersInContext
(
ContextImpl
&
context
)
{
kernel
.
getAs
<
CalcAmoebaMultipoleForceKernel
>
().
copyParametersToContext
(
context
,
owner
);
kernel
.
getAs
<
CalcAmoebaMultipoleForceKernel
>
().
copyParametersToContext
(
context
,
owner
);
context
.
systemChanged
();
}
}
void
AmoebaMultipoleForceImpl
::
getPMEParameters
(
double
&
alpha
,
int
&
nx
,
int
&
ny
,
int
&
nz
)
const
{
void
AmoebaMultipoleForceImpl
::
getPMEParameters
(
double
&
alpha
,
int
&
nx
,
int
&
ny
,
int
&
nz
)
const
{
...
...
plugins/amoeba/openmmapi/src/AmoebaOutOfPlaneBendForceImpl.cpp
View file @
599a2cda
...
@@ -64,4 +64,5 @@ std::vector<std::string> AmoebaOutOfPlaneBendForceImpl::getKernelNames() {
...
@@ -64,4 +64,5 @@ std::vector<std::string> AmoebaOutOfPlaneBendForceImpl::getKernelNames() {
void
AmoebaOutOfPlaneBendForceImpl
::
updateParametersInContext
(
ContextImpl
&
context
)
{
void
AmoebaOutOfPlaneBendForceImpl
::
updateParametersInContext
(
ContextImpl
&
context
)
{
kernel
.
getAs
<
CalcAmoebaOutOfPlaneBendForceKernel
>
().
copyParametersToContext
(
context
,
owner
);
kernel
.
getAs
<
CalcAmoebaOutOfPlaneBendForceKernel
>
().
copyParametersToContext
(
context
,
owner
);
context
.
systemChanged
();
}
}
plugins/amoeba/openmmapi/src/AmoebaPiTorsionForceImpl.cpp
View file @
599a2cda
...
@@ -64,4 +64,5 @@ std::vector<std::string> AmoebaPiTorsionForceImpl::getKernelNames() {
...
@@ -64,4 +64,5 @@ std::vector<std::string> AmoebaPiTorsionForceImpl::getKernelNames() {
void
AmoebaPiTorsionForceImpl
::
updateParametersInContext
(
ContextImpl
&
context
)
{
void
AmoebaPiTorsionForceImpl
::
updateParametersInContext
(
ContextImpl
&
context
)
{
kernel
.
getAs
<
CalcAmoebaPiTorsionForceKernel
>
().
copyParametersToContext
(
context
,
owner
);
kernel
.
getAs
<
CalcAmoebaPiTorsionForceKernel
>
().
copyParametersToContext
(
context
,
owner
);
context
.
systemChanged
();
}
}
plugins/amoeba/openmmapi/src/AmoebaStretchBendForceImpl.cpp
View file @
599a2cda
...
@@ -64,4 +64,5 @@ std::vector<std::string> AmoebaStretchBendForceImpl::getKernelNames() {
...
@@ -64,4 +64,5 @@ std::vector<std::string> AmoebaStretchBendForceImpl::getKernelNames() {
void
AmoebaStretchBendForceImpl
::
updateParametersInContext
(
ContextImpl
&
context
)
{
void
AmoebaStretchBendForceImpl
::
updateParametersInContext
(
ContextImpl
&
context
)
{
kernel
.
getAs
<
CalcAmoebaStretchBendForceKernel
>
().
copyParametersToContext
(
context
,
owner
);
kernel
.
getAs
<
CalcAmoebaStretchBendForceKernel
>
().
copyParametersToContext
(
context
,
owner
);
context
.
systemChanged
();
}
}
plugins/drude/openmmapi/src/DrudeForceImpl.cpp
View file @
599a2cda
...
@@ -154,6 +154,7 @@ vector<string> DrudeForceImpl::getKernelNames() {
...
@@ -154,6 +154,7 @@ vector<string> DrudeForceImpl::getKernelNames() {
void
DrudeForceImpl
::
updateParametersInContext
(
ContextImpl
&
context
)
{
void
DrudeForceImpl
::
updateParametersInContext
(
ContextImpl
&
context
)
{
kernel
.
getAs
<
CalcDrudeForceKernel
>
().
copyParametersToContext
(
context
,
owner
);
kernel
.
getAs
<
CalcDrudeForceKernel
>
().
copyParametersToContext
(
context
,
owner
);
context
.
systemChanged
();
}
}
vector
<
pair
<
int
,
int
>
>
DrudeForceImpl
::
getBondedParticles
()
const
{
vector
<
pair
<
int
,
int
>
>
DrudeForceImpl
::
getBondedParticles
()
const
{
...
...
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