StateExtractor Class Reference
#include <state_extractor.hh>
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: