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
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
