OpenMM
ThreeParticleAverageSite Class Reference

This is a VirtualSite that computes the particle location as a weighted average of three other particle's locations. More...

+ Inheritance diagram for ThreeParticleAverageSite:

List of all members.

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

Detailed Description

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.


Constructor & Destructor Documentation

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.

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(double) the weight factor (between 0 and 1) for the third particle

Member Function Documentation

def getWeight (   self,
  particle 
)

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:
(double) the weight factor used for that particle

Member Data Documentation


The documentation for this class was generated from the following file:
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