VirtualSite

class 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