ThreeParticleAverageSite¶

class
simtk.openmm.openmm.
ThreeParticleAverageSite
(*args)¶ This is a VirtualSite that computes the particle location as a weighted average of three other particle’s locations. Assuming the weights add up to 1, this means the virtual site is in the plane of the three particles.

__init__
(self, particle1, particle2, particle3, weight1, weight2, weight3) → ThreeParticleAverageSite¶ __init__(self, other) > ThreeParticleAverageSite
Create a new ThreeParticleAverageSite virtual site. Normally the weights should add up to 1, although this is not strictly required.
Parameters:  particle1 (int) – the index of the first particle
 particle2 (int) – the index of the second particle
 particle3 (int) – the index of the third particle
 weight1 (double) – the weight factor (between 0 and 1) for the first particle
 weight2 (double) – the weight factor (between 0 and 1) for the second particle
 weight2 – the weight factor (between 0 and 1) for the third particle
Methods
__init__
(self, particle1, particle2, …)__init__(self, other) > ThreeParticleAverageSite 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. getWeight
(self, particle)Get the weight factor used for a particle this virtual site depends on. 
getWeight
(self, particle) → double¶ Get the weight factor used for a particle this virtual site depends on.
Parameters: particle (int) – the particle to get (between 0 and getNumParticles()) Returns: the weight factor used for that particle Return type: double

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
