#include <density_force.hh>
Public Member Functions | |
DensityForce (const ost::img::ImageHandle &d, Real r, Real s) | |
void | addParticle (Real mass) |
int | getNumParticles () const |
int | getNumBodies () const |
Real | getParticleMass (int idx) const |
bool | isInBody (int idx) const |
void | defineBody (const std::vector< int > &indices) |
const std::vector< int > & | getBody (int idx) const |
void | setScaling (Real scaling) |
Real | getScaling () const |
ost::img::ImageHandle | getDensity () const |
Real | getResolution () const |
void | updateParametersInContext (OpenMM::Context &context) |
bool | usesPeriodicBoundaryConditions () const |
Protected Member Functions | |
OpenMM::ForceImpl * | createImpl () const |
Definition at line 42 of file density_force.hh.
DensityForce | ( | const ost::img::ImageHandle & | d, | |
Real | r, | |||
Real | s | |||
) | [inline] |
Create an DensityForce. The density force only makes sense for simulation boxes with orthogonal base vectors.
Definition at line 50 of file density_force.hh.
void addParticle | ( | Real | mass | ) |
OpenMM::ForceImpl* createImpl | ( | ) | const [protected] |
void defineBody | ( | const std::vector< int > & | indices | ) |
const std::vector<int>& getBody | ( | int | idx | ) | const |
ost::img::ImageHandle getDensity | ( | ) | const [inline] |
Definition at line 72 of file density_force.hh.
int getNumBodies | ( | ) | const [inline] |
Definition at line 58 of file density_force.hh.
int getNumParticles | ( | ) | const [inline] |
Definition at line 56 of file density_force.hh.
Real getParticleMass | ( | int | idx | ) | const |
Real getResolution | ( | ) | const [inline] |
Definition at line 74 of file density_force.hh.
Real getScaling | ( | ) | const [inline] |
Definition at line 70 of file density_force.hh.
bool isInBody | ( | int | idx | ) | const |
void setScaling | ( | Real | scaling | ) | [inline] |
Definition at line 68 of file density_force.hh.
void updateParametersInContext | ( | OpenMM::Context & | context | ) |
bool usesPeriodicBoundaryConditions | ( | ) | const [inline] |
Definition at line 78 of file density_force.hh.