OpenStructure
Static Public Member Functions
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)
 

Detailed Description

Definition at line 37 of file state_extractor.hh.

Member Function Documentation

◆ ExtractEnergy()

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

◆ ExtractForces()

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

◆ ExtractKineticEnergy()

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

◆ ExtractPositions()

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

◆ ExtractPotentialEnergy()

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

◆ ExtractVelocities()

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

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