#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.
1.6.1