VirtualSite
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class VirtualSite¶
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.
Subclassed by OpenMM::LocalCoordinatesSite, OpenMM::OutOfPlaneSite, OpenMM::ThreeParticleAverageSite, OpenMM::TwoParticleAverageSite
Public Functions
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int getNumParticles() const¶
Get the number of particles this virtual site depends on.
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int getParticle(int particle) const¶
Get the index of a particle this virtual site depends on.
- Parameters
particle – the particle to get (between 0 and getNumParticles())
- Returns
the index of the particle in the System
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int getNumParticles() const¶