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Public Member Functions | Static Public Member Functions
CalcDensityForceKernel Class Referenceabstract

#include <density_kernels.hh>

Inherits KernelImpl.

Inherited by ReferenceCalcDensityForceKernel.

Public Member Functions

 CalcDensityForceKernel (std::string name, const OpenMM::Platform &platform)
 
virtual void initialize (const OpenMM::System &system, const DensityForce &force)=0
 
virtual double execute (OpenMM::ContextImpl &context, bool includeForces, bool includeEnergy)=0
 
virtual void copyParametersToContext (OpenMM::ContextImpl &context, const DensityForce &force)=0
 

Static Public Member Functions

static std::string Name ()
 

Detailed Description

This kernel is invoked by DensityForce to calculate the forces acting on the system and the energy of the system.

Definition at line 46 of file density_kernels.hh.

Constructor & Destructor Documentation

CalcDensityForceKernel ( std::string  name,
const OpenMM::Platform &  platform 
)
inline

Definition at line 51 of file density_kernels.hh.

Member Function Documentation

virtual void copyParametersToContext ( OpenMM::ContextImpl &  context,
const DensityForce force 
)
pure virtual

Copy changed parameters over to a context.

Parameters
contextthe context to copy parameters to
forcethe DensityForce to copy the parameters from

Implemented in ReferenceCalcDensityForceKernel.

virtual double execute ( OpenMM::ContextImpl &  context,
bool  includeForces,
bool  includeEnergy 
)
pure virtual

Execute the kernel to calculate the forces and/or energy.

Parameters
contextthe context in which to execute this kernel
includeForcestrue if forces should be calculated
includeEnergytrue if the energy should be calculated
Returns
the potential energy due to the force

Implemented in ReferenceCalcDensityForceKernel.

virtual void initialize ( const OpenMM::System &  system,
const DensityForce force 
)
pure virtual

Initialize the kernel.

Parameters
systemthe System this kernel will be applied to
forcethe DensityForce this kernel will be used for

Implemented in ReferenceCalcDensityForceKernel.

static std::string Name ( )
inlinestatic

Definition at line 48 of file density_kernels.hh.


The documentation for this class was generated from the following file: