OpenMM

This is a VirtualSite that computes the particle location as a weighted average of three other particle's locations. More...
Public Member Functions  
def  getWeight 
getWeight(self, particle) > double  
def  __init__ 
__init__(self, particle1, particle2, particle3, weight1, weight2, weight3) > ThreeParticleAverageSite __init__(self, other) > ThreeParticleAverageSite  
Public Attributes  
this 
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.
def __init__  (  self,  
args  
) 
__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.
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  (double) the weight factor (between 0 and 1) for the third particle 
def getWeight  (  self,  
particle  
) 
getWeight(self, particle) > double
Get the weight factor used for a particle this virtual site depends on.
particle  (int) the particle to get (between 0 and getNumParticles()) 