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tsoc
openmm
Commits
a4020466
Commit
a4020466
authored
Jul 14, 2009
by
Peter Eastman
Browse files
Renamed OpenMMContext to Context
parent
95b8dbd6
Changes
139
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Showing
20 changed files
with
48 additions
and
48 deletions
+48
-48
platforms/brook/src/BrookCalcKineticEnergyKernel.cpp
platforms/brook/src/BrookCalcKineticEnergyKernel.cpp
+2
-2
platforms/brook/src/BrookCalcKineticEnergyKernel.h
platforms/brook/src/BrookCalcKineticEnergyKernel.h
+2
-2
platforms/brook/src/BrookCalcNonbondedForceKernel.cpp
platforms/brook/src/BrookCalcNonbondedForceKernel.cpp
+4
-4
platforms/brook/src/BrookCalcNonbondedForceKernel.h
platforms/brook/src/BrookCalcNonbondedForceKernel.h
+2
-2
platforms/brook/src/BrookCalcPeriodicTorsionForceKernel.cpp
platforms/brook/src/BrookCalcPeriodicTorsionForceKernel.cpp
+4
-4
platforms/brook/src/BrookCalcPeriodicTorsionForceKernel.h
platforms/brook/src/BrookCalcPeriodicTorsionForceKernel.h
+2
-2
platforms/brook/src/BrookCalcRBTorsionForceKernel.cpp
platforms/brook/src/BrookCalcRBTorsionForceKernel.cpp
+4
-4
platforms/brook/src/BrookCalcRBTorsionForceKernel.h
platforms/brook/src/BrookCalcRBTorsionForceKernel.h
+2
-2
platforms/brook/src/BrookInitializeForcesKernel.cpp
platforms/brook/src/BrookInitializeForcesKernel.cpp
+2
-2
platforms/brook/src/BrookInitializeForcesKernel.h
platforms/brook/src/BrookInitializeForcesKernel.h
+1
-1
platforms/brook/src/BrookIntegrateLangevinStepKernel.cpp
platforms/brook/src/BrookIntegrateLangevinStepKernel.cpp
+2
-2
platforms/brook/src/BrookIntegrateLangevinStepKernel.h
platforms/brook/src/BrookIntegrateLangevinStepKernel.h
+2
-2
platforms/brook/src/BrookIntegrateVerletStepKernel.cpp
platforms/brook/src/BrookIntegrateVerletStepKernel.cpp
+2
-2
platforms/brook/src/BrookIntegrateVerletStepKernel.h
platforms/brook/src/BrookIntegrateVerletStepKernel.h
+2
-2
platforms/brook/src/BrookKernelFactory.cpp
platforms/brook/src/BrookKernelFactory.cpp
+2
-2
platforms/brook/src/BrookNonBonded.cpp
platforms/brook/src/BrookNonBonded.cpp
+1
-1
platforms/brook/src/BrookPlatform.cpp
platforms/brook/src/BrookPlatform.cpp
+5
-5
platforms/brook/src/BrookRemoveCMMotionKernel.cpp
platforms/brook/src/BrookRemoveCMMotionKernel.cpp
+3
-3
platforms/brook/src/BrookRemoveCMMotionKernel.h
platforms/brook/src/BrookRemoveCMMotionKernel.h
+2
-2
platforms/brook/src/BrookStreamFactory.cpp
platforms/brook/src/BrookStreamFactory.cpp
+2
-2
No files found.
platforms/brook/src/BrookCalcKineticEnergyKernel.cpp
View file @
a4020466
...
...
@@ -117,13 +117,13 @@ _brookVelocityCenterOfMassRemoval->setup( masses, getPlatform() );
/**
* Calculate kinetic energy
*
* @param context
OpenMM
ContextImpl reference
* @param context ContextImpl reference
*
* @return kinetic energy of the system
*
*/
double
BrookCalcKineticEnergyKernel
::
execute
(
OpenMM
ContextImpl
&
context
){
double
BrookCalcKineticEnergyKernel
::
execute
(
ContextImpl
&
context
){
// ---------------------------------------------------------------------------------------
...
...
platforms/brook/src/BrookCalcKineticEnergyKernel.h
View file @
a4020466
...
...
@@ -72,11 +72,11 @@ class BrookCalcKineticEnergyKernel : public CalcKineticEnergyKernel {
/**
* Execute the kernel.
*
* @param context
OpenMM
ContextImpl reference
* @param context ContextImpl reference
*
*/
double
execute
(
OpenMM
ContextImpl
&
context
);
double
execute
(
ContextImpl
&
context
);
private:
...
...
platforms/brook/src/BrookCalcNonbondedForceKernel.cpp
View file @
a4020466
...
...
@@ -272,11 +272,11 @@ void BrookCalcNonbondedForceKernel::initialize14Interactions( const System& syst
/**
* Execute the kernel to calculate the nonbonded forces
*
* @param context
OpenMM
ContextImpl context
* @param context ContextImpl context
*
*/
void
BrookCalcNonbondedForceKernel
::
executeForces
(
OpenMM
ContextImpl
&
context
){
void
BrookCalcNonbondedForceKernel
::
executeForces
(
ContextImpl
&
context
){
// ---------------------------------------------------------------------------------------
...
...
@@ -294,14 +294,14 @@ void BrookCalcNonbondedForceKernel::executeForces( OpenMMContextImpl& context ){
/**
* Execute the kernel to calculate the energy.
*
* @param context
OpenMM
ContextImpl context
* @param context ContextImpl context
*
* @return potential energy due to the NonbondedForce
* Currently always return 0.0 since energies not calculated on gpu
*
*/
double
BrookCalcNonbondedForceKernel
::
executeEnergy
(
OpenMM
ContextImpl
&
context
){
double
BrookCalcNonbondedForceKernel
::
executeEnergy
(
ContextImpl
&
context
){
// ---------------------------------------------------------------------------------------
...
...
platforms/brook/src/BrookCalcNonbondedForceKernel.h
View file @
a4020466
...
...
@@ -79,7 +79,7 @@ class BrookCalcNonbondedForceKernel : public CalcNonbondedForceKernel {
* @param context the context in which to execute this kernel
*/
void
executeForces
(
OpenMM
ContextImpl
&
context
);
void
executeForces
(
ContextImpl
&
context
);
/**
* Execute the kernel to calculate the energy.
...
...
@@ -100,7 +100,7 @@ class BrookCalcNonbondedForceKernel : public CalcNonbondedForceKernel {
* @return the potential energy due to the NonbondedForce
*/
double
executeEnergy
(
OpenMM
ContextImpl
&
context
);
double
executeEnergy
(
ContextImpl
&
context
);
/**
* Set log file reference
...
...
platforms/brook/src/BrookCalcPeriodicTorsionForceKernel.cpp
View file @
a4020466
...
...
@@ -173,11 +173,11 @@ void BrookCalcPeriodicTorsionForceKernel::initialize( const System& system, cons
/**
* Compute forces given particle coordinates
*
* @param context
OpenMM
ContextImpl context
* @param context ContextImpl context
*
*/
void
BrookCalcPeriodicTorsionForceKernel
::
executeForces
(
OpenMM
ContextImpl
&
context
){
void
BrookCalcPeriodicTorsionForceKernel
::
executeForces
(
ContextImpl
&
context
){
// ---------------------------------------------------------------------------------------
...
...
@@ -197,13 +197,13 @@ void BrookCalcPeriodicTorsionForceKernel::executeForces( OpenMMContextImpl& cont
/**
* Execute the kernel to calculate the energy
*
* @param context
OpenMM
ContextImpl context
* @param context ContextImpl context
*
* @return potential energy
*
*/
double
BrookCalcPeriodicTorsionForceKernel
::
executeEnergy
(
OpenMM
ContextImpl
&
context
){
double
BrookCalcPeriodicTorsionForceKernel
::
executeEnergy
(
ContextImpl
&
context
){
// ---------------------------------------------------------------------------------------
...
...
platforms/brook/src/BrookCalcPeriodicTorsionForceKernel.h
View file @
a4020466
...
...
@@ -72,7 +72,7 @@ class BrookCalcPeriodicTorsionForceKernel : public CalcPeriodicTorsionForceKerne
*
*/
void
executeForces
(
OpenMM
ContextImpl
&
context
);
void
executeForces
(
ContextImpl
&
context
);
/**
* Execute the kernel to calculate the energy.
...
...
@@ -83,7 +83,7 @@ class BrookCalcPeriodicTorsionForceKernel : public CalcPeriodicTorsionForceKerne
*
*/
double
executeEnergy
(
OpenMM
ContextImpl
&
context
);
double
executeEnergy
(
ContextImpl
&
context
);
/**
* Set log file reference
...
...
platforms/brook/src/BrookCalcRBTorsionForceKernel.cpp
View file @
a4020466
...
...
@@ -177,11 +177,11 @@ void BrookCalcRBTorsionForceKernel::initialize( const System& system, const RBTo
/**
* Compute forces given particle coordinates
*
* @param context
OpenMM
ContextImpl context
* @param context ContextImpl context
*
*/
void
BrookCalcRBTorsionForceKernel
::
executeForces
(
OpenMM
ContextImpl
&
context
){
void
BrookCalcRBTorsionForceKernel
::
executeForces
(
ContextImpl
&
context
){
// ---------------------------------------------------------------------------------------
...
...
@@ -201,13 +201,13 @@ void BrookCalcRBTorsionForceKernel::executeForces( OpenMMContextImpl& context ){
/**
* Execute the kernel to calculate the energy
*
* @param context
OpenMM
ContextImpl context
* @param context ContextImpl context
*
* @return potential energy
*
*/
double
BrookCalcRBTorsionForceKernel
::
executeEnergy
(
OpenMM
ContextImpl
&
context
){
double
BrookCalcRBTorsionForceKernel
::
executeEnergy
(
ContextImpl
&
context
){
// ---------------------------------------------------------------------------------------
...
...
platforms/brook/src/BrookCalcRBTorsionForceKernel.h
View file @
a4020466
...
...
@@ -72,7 +72,7 @@ class BrookCalcRBTorsionForceKernel : public CalcRBTorsionForceKernel {
*
*/
void
executeForces
(
OpenMM
ContextImpl
&
context
);
void
executeForces
(
ContextImpl
&
context
);
/**
* Execute the kernel to calculate the energy.
...
...
@@ -83,7 +83,7 @@ class BrookCalcRBTorsionForceKernel : public CalcRBTorsionForceKernel {
*
*/
double
executeEnergy
(
OpenMM
ContextImpl
&
context
);
double
executeEnergy
(
ContextImpl
&
context
);
/**
* Set log file reference
...
...
platforms/brook/src/BrookInitializeForcesKernel.cpp
View file @
a4020466
...
...
@@ -128,11 +128,11 @@ void BrookInitializeForcesKernel::initialize( const System& system ){
/**
* Zero forces
*
* @param context
OpenMM
ContextImpl context
* @param context ContextImpl context
*
*/
void
BrookInitializeForcesKernel
::
execute
(
OpenMM
ContextImpl
&
context
){
void
BrookInitializeForcesKernel
::
execute
(
ContextImpl
&
context
){
// ---------------------------------------------------------------------------------------
...
...
platforms/brook/src/BrookInitializeForcesKernel.h
View file @
a4020466
...
...
@@ -57,7 +57,7 @@ class BrookInitializeForcesKernel : public InitializeForcesKernel {
* @param context the context in which to execute this kernel
*/
void
execute
(
OpenMM
ContextImpl
&
context
);
void
execute
(
ContextImpl
&
context
);
/**
* Set log file reference
...
...
platforms/brook/src/BrookIntegrateLangevinStepKernel.cpp
View file @
a4020466
...
...
@@ -219,12 +219,12 @@ void BrookIntegrateLangevinStepKernel::initialize( const System& system, const L
/**
* Execute kernel
*
* @param context
OpenMM
ContextImpl reference
* @param context ContextImpl reference
* @param integrator LangevinIntegrator reference
*
*/
void
BrookIntegrateLangevinStepKernel
::
execute
(
OpenMM
ContextImpl
&
context
,
const
LangevinIntegrator
&
integrator
){
void
BrookIntegrateLangevinStepKernel
::
execute
(
ContextImpl
&
context
,
const
LangevinIntegrator
&
integrator
){
// ---------------------------------------------------------------------------------------
...
...
platforms/brook/src/BrookIntegrateLangevinStepKernel.h
View file @
a4020466
...
...
@@ -77,12 +77,12 @@ class BrookIntegrateLangevinStepKernel : public IntegrateLangevinStepKernel {
/**
* Execute kernel
*
* @param context
OpenMM
ContextImpl reference
* @param context ContextImpl reference
* @param integrator LangevinIntegrator reference
*
*/
void
execute
(
OpenMM
ContextImpl
&
context
,
const
LangevinIntegrator
&
integrator
);
void
execute
(
ContextImpl
&
context
,
const
LangevinIntegrator
&
integrator
);
/**
* Set log file reference
...
...
platforms/brook/src/BrookIntegrateVerletStepKernel.cpp
View file @
a4020466
...
...
@@ -175,12 +175,12 @@ void BrookIntegrateVerletStepKernel::initialize( const System& system, const Ve
/**
* Execute kernel
*
* @param context
OpenMM
ContextImpl reference
* @param context ContextImpl reference
* @param integrator VerletIntegrator reference
*
*/
void
BrookIntegrateVerletStepKernel
::
execute
(
OpenMM
ContextImpl
&
context
,
const
VerletIntegrator
&
integrator
){
void
BrookIntegrateVerletStepKernel
::
execute
(
ContextImpl
&
context
,
const
VerletIntegrator
&
integrator
){
// ---------------------------------------------------------------------------------------
...
...
platforms/brook/src/BrookIntegrateVerletStepKernel.h
View file @
a4020466
...
...
@@ -76,12 +76,12 @@ class BrookIntegrateVerletStepKernel : public IntegrateVerletStepKernel {
/**
* Execute kernel
*
* @param context
OpenMM
ContextImpl reference
* @param context ContextImpl reference
* @param integrator VerletIntegrator reference
*
*/
void
execute
(
OpenMM
ContextImpl
&
context
,
const
VerletIntegrator
&
integrator
);
void
execute
(
ContextImpl
&
context
,
const
VerletIntegrator
&
integrator
);
/**
* Set log file reference
...
...
platforms/brook/src/BrookKernelFactory.cpp
View file @
a4020466
...
...
@@ -38,11 +38,11 @@
#include "BrookCalcKineticEnergyKernel.h"
#include "BrookCalcGBSAOBCForceKernel.h"
#include "BrookRemoveCMMotionKernel.h"
#include "openmm/internal/
OpenMM
ContextImpl.h"
#include "openmm/internal/ContextImpl.h"
using
namespace
OpenMM
;
KernelImpl
*
BrookKernelFactory
::
createKernelImpl
(
std
::
string
name
,
const
Platform
&
platform
,
OpenMM
ContextImpl
&
context
)
const
{
KernelImpl
*
BrookKernelFactory
::
createKernelImpl
(
std
::
string
name
,
const
Platform
&
platform
,
ContextImpl
&
context
)
const
{
// ---------------------------------------------------------------------------------------
...
...
platforms/brook/src/BrookNonBonded.cpp
View file @
a4020466
...
...
@@ -1279,7 +1279,7 @@ std::string BrookNonBonded::getContentsString( int level ) const {
/**
* Compute forces
*
* @param context
OpenMM
ContextImpl context
* @param context ContextImpl context
*
*/
...
...
platforms/brook/src/BrookPlatform.cpp
View file @
a4020466
...
...
@@ -27,7 +27,7 @@
#include "BrookPlatform.h"
#include "BrookKernelFactory.h"
#include "OpenMMBrookInterface.h"
#include "openmm/internal/
OpenMM
ContextImpl.h"
#include "openmm/internal/ContextImpl.h"
#include "openmm/OpenMMException.h"
#include "openmm/kernels.h"
#include "../../reference/src/SimTKUtilities/SimTKOpenMMRealType.h"
...
...
@@ -526,11 +526,11 @@ int BrookPlatform::setLog( FILE* log ){
/**
*
* This is called whenever a new
OpenMM
Context is created. It gives the Platform a chance to initialize
* This is called whenever a new Context is created. It gives the Platform a chance to initialize
* the context and store platform-specific data in it.
*
*/
void
BrookPlatform
::
contextCreated
(
OpenMM
ContextImpl
&
context
)
const
{
void
BrookPlatform
::
contextCreated
(
ContextImpl
&
context
)
const
{
// ---------------------------------------------------------------------------------------
...
...
@@ -547,12 +547,12 @@ void BrookPlatform::contextCreated( OpenMMContextImpl& context ) const {
/**
*
* This is called whenever a
n OpenMM
Context is deleted. It gives the Platform a chance to clean up
* This is called whenever a
Context is deleted. It gives the Platform a chance to clean up
* any platform-specific data that was stored in it.
*
*/
void
BrookPlatform
::
contextDestroyed
(
OpenMM
ContextImpl
&
context
)
const
{
void
BrookPlatform
::
contextDestroyed
(
ContextImpl
&
context
)
const
{
// ---------------------------------------------------------------------------------------
...
...
platforms/brook/src/BrookRemoveCMMotionKernel.cpp
View file @
a4020466
...
...
@@ -24,7 +24,7 @@
* along with this program. If not, see <http://www.gnu.org/licenses/>. *
* -------------------------------------------------------------------------- */
#include "openmm/internal/
OpenMM
ContextImpl.h"
#include "openmm/internal/ContextImpl.h"
#include "openmm/System.h"
#include "BrookRemoveCMMotionKernel.h"
#include "BrookStreamInternal.h"
...
...
@@ -156,11 +156,11 @@ int BrookRemoveCMMotionKernel::getFrequency( void ) const {
/**
* Execute kernel
*
* @param context
OpenMM
ContextImpl reference
* @param context ContextImpl reference
*
*/
void
BrookRemoveCMMotionKernel
::
execute
(
OpenMM
ContextImpl
&
context
){
void
BrookRemoveCMMotionKernel
::
execute
(
ContextImpl
&
context
){
// ---------------------------------------------------------------------------------------
...
...
platforms/brook/src/BrookRemoveCMMotionKernel.h
View file @
a4020466
...
...
@@ -112,11 +112,11 @@ class BrookRemoveCMMotionKernel : public RemoveCMMotionKernel {
/**
* Execute the kernel.
*
* @param context
OpenMM
ContextImpl reference
* @param context ContextImpl reference
*
*/
void
execute
(
OpenMM
ContextImpl
&
context
);
void
execute
(
ContextImpl
&
context
);
private:
...
...
platforms/brook/src/BrookStreamFactory.cpp
View file @
a4020466
...
...
@@ -27,7 +27,7 @@
#include "openmm/OpenMMException.h"
#include "BrookStreamFactory.h"
#include "BrookStreamImpl.h"
#include "openmm/internal/
OpenMM
ContextImpl.h"
#include "openmm/internal/ContextImpl.h"
#include "OpenMMBrookInterface.h"
#include <sstream>
...
...
@@ -279,7 +279,7 @@ int BrookStreamFactory::setDefaultDangleValue( double defaultDangleValue ){
*/
StreamImpl
*
BrookStreamFactory
::
createStreamImpl
(
std
::
string
name
,
int
size
,
Stream
::
DataType
type
,
const
Platform
&
platform
,
OpenMM
ContextImpl
&
context
)
const
{
const
Platform
&
platform
,
ContextImpl
&
context
)
const
{
// ---------------------------------------------------------------------------------------
...
...
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