OpenMM
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A VirtualSite describes the rules for computing a particle's position based on other particles. More...
#include <VirtualSite.h>
Public Member Functions | |
virtual | ~VirtualSite () |
int | getNumParticles () const |
Get the number of particles this virtual site depends on. | |
int | getParticle (int particle) const |
Get the index of a particle this virtual site depends on. | |
Protected Member Functions | |
VirtualSite () | |
void | setParticles (const std::vector< int > &particleIndices) |
A VirtualSite describes the rules for computing a particle's position based on other particles.
This is an abstract class. Subclasses define particular rules. To define a virtual site, create an instance of a VirtualSite subclass and then call setVirtualSite() on the System.
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inlinevirtual |
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inlineprotected |
int getNumParticles | ( | ) | const |
Get the number of particles this virtual site depends on.
int getParticle | ( | int | particle | ) | const |
Get the index of a particle this virtual site depends on.
particle | the particle to get (between 0 and getNumParticles()) |
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protected |