CalcRdcForceKernel Class Reference

#include <meldKernels.h>

Inheritance diagram for CalcRdcForceKernel:

Public Member Functions
	CalcRdcForceKernel (std::string name, const OpenMM::Platform &platform)
virtual void	initialize (const OpenMM::System &system, const RdcForce &force)=0
	Initialize the kernel. More...
virtual double	execute (OpenMM::ContextImpl &context, bool includeForces, bool includeEnergy)=0
	Execute the kernel to calculate the forces and/or energy. More...
virtual void	copyParametersToContext (OpenMM::ContextImpl &context, const RdcForce &force)=0

Static Public Member Functions
static std::string	Name ()

Constructor & Destructor Documentation

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

inline

Member Function Documentation

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

pure virtual

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

pure virtual

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

Parameters

context	the context in which to execute this kernel
includeForces	true if forces should be calculated
includeEnergy	true if the energy should be calculated

Returns

the potential energy due to the force

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

pure virtual

Initialize the kernel.

Parameters

system	the System this kernel will be applied to
force	the MeldForce this kernel will be used for

static std::string Name ( )

inlinestatic

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

• meldKernels.h