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TwoParticleAverageSite Class Reference

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

+ Inheritance diagram for TwoParticleAverageSite:

Public Member Functions

def getWeight
 getWeight(TwoParticleAverageSite self, int particle) -> double
 
def __init__
 init(OpenMM::TwoParticleAverageSite self, int particle1, int particle2, double weight1, double weight2) -> TwoParticleAverageSite init(OpenMM::TwoParticleAverageSite self, TwoParticleAverageSite other) -> TwoParticleAverageSite
 
def __del__
 del(OpenMM::TwoParticleAverageSite self)
 
- Public Member Functions inherited from VirtualSite
def __init__
 
def __del__
 del(OpenMM::VirtualSite self)
 
def getNumParticles
 getNumParticles(VirtualSite self) -> int
 
def getParticle
 getParticle(VirtualSite self, int particle) -> int
 

Public Attributes

 this
 

Detailed Description

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

Assuming the weights add up to 1, this means the virtual site is on the line passing through the two particles.

Constructor & Destructor Documentation

def __init__ (   self,
  args 
)

init(OpenMM::TwoParticleAverageSite self, int particle1, int particle2, double weight1, double weight2) -> TwoParticleAverageSite init(OpenMM::TwoParticleAverageSite self, TwoParticleAverageSite other) -> TwoParticleAverageSite

Create a new TwoParticleAverageSite virtual site. Normally weight1 and weight2 should add up to 1, although this is not strictly required.

Parameters
particle1the index of the first particle
particle2the index of the second particle
weight1the weight factor (between 0 and 1) for the first particle
weight2the weight factor (between 0 and 1) for the second particle
def __del__ (   self)

del(OpenMM::TwoParticleAverageSite self)

Member Function Documentation

def getWeight (   self,
  args 
)

getWeight(TwoParticleAverageSite self, int particle) -> double

Get the weight factor used for a particle this virtual site depends on.

Parameters
particlethe particle to get (between 0 and getNumParticles())

Member Data Documentation

this

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