StateExtractor Class Reference

#include <state_extractor.hh>

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)

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Detailed Description

Definition at line 37 of file state_extractor.hh.

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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]

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

• stage/include/ost/mol/mm/state_extractor.hh