VirtualSite

class simtk.openmm.openmm.VirtualSite(*args, **kwargs)

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.

__init__(*args, **kwargs)

Initialize self. See help(type(self)) for accurate signature.

Methods

__init__(*args, **kwargs)	Initialize self.
getNumParticles(self)	Get the number of particles this virtual site depends on.
getParticle(self, particle)	Get the index of a particle this virtual site depends on.

Attributes

thisown

The membership flag

property thisown

The membership flag

getNumParticles(self) → int

Get the number of particles this virtual site depends on.

getParticle(self, particle) → int

Get the index of a particle this virtual site depends on.

Parameters

particle (int) – the particle to get (between 0 and getNumParticles())

Returns

the index of the particle in the System

Return type

int