Static Public Member Functions
static void	ExtractPotentialEnergy (boost::shared_ptr< OpenMM::Context > context, Real &energy)

static void	ExtractKineticEnergy (boost::shared_ptr< OpenMM::Context > context, Real &energy)

static void	ExtractEnergy (boost::shared_ptr< OpenMM::Context > context, Real &energy)

static void	ExtractPositions (boost::shared_ptr< OpenMM::Context > context, geom::Vec3List &positions, bool enforce_periodic_box=false, bool in_angstrom=true)

static void	ExtractVelocities (boost::shared_ptr< OpenMM::Context > context, geom::Vec3List &velocities)

static void	ExtractForces (boost::shared_ptr< OpenMM::Context > context, geom::Vec3List &forces)

Detailed Description

Definition at line 37 of file state_extractor.hh.

Member Function Documentation

static void ExtractEnergy	(	boost::shared_ptr< OpenMM::Context >	context,
		Real &	energy
	)

static

static void ExtractForces	(	boost::shared_ptr< OpenMM::Context >	context,
		geom::Vec3List &	forces
	)

static

static void ExtractKineticEnergy	(	boost::shared_ptr< OpenMM::Context >	context,
		Real &	energy
	)

static

static void ExtractPositions	(	boost::shared_ptr< OpenMM::Context >	context,
		geom::Vec3List &	positions,
		bool	enforce_periodic_box = `false`,
		bool	in_angstrom = `true`
	)

static

static void ExtractPotentialEnergy	(	boost::shared_ptr< OpenMM::Context >	context,
		Real &	energy
	)

static

static void ExtractVelocities	(	boost::shared_ptr< OpenMM::Context >	context,
		geom::Vec3List &	velocities
	)

static

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