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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:

Public Member Functions

def getWeight
 getWeight(ThreeParticleAverageSite self, int particle) -> double More...
 
def __init__
 init(OpenMM::ThreeParticleAverageSite self, int particle1, int particle2, int particle3, double weight1, double weight2, double weight3) -> ThreeParticleAverageSite init(OpenMM::ThreeParticleAverageSite self, ThreeParticleAverageSite other) -> ThreeParticleAverageSite More...
 
def __del__
 del(OpenMM::ThreeParticleAverageSite self) More...
 
- Public Member Functions inherited from VirtualSite
def __init__
 
def __del__
 del(OpenMM::VirtualSite self) More...
 
def getNumParticles
 getNumParticles(VirtualSite self) -> int More...
 
def getParticle
 getParticle(VirtualSite self, int particle) -> int More...
 

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(OpenMM::ThreeParticleAverageSite self, int particle1, int particle2, int particle3, double weight1, double weight2, double weight3) -> ThreeParticleAverageSite init(OpenMM::ThreeParticleAverageSite self, ThreeParticleAverageSite other) -> ThreeParticleAverageSite

Create a new ThreeParticleAverageSite virtual site. Normally the weights should add up to 1, although this is not strictly required.

Parameters
particle1the index of the first particle
particle2the index of the second particle
particle3the index of the third particle
weight1the weight factor (between 0 and 1) for the first particle
weight2the weight factor (between 0 and 1) for the second particle
weight2the weight factor (between 0 and 1) for the third particle

References simtk.openmm.openmm.stripUnits().

def __del__ (   self)

del(OpenMM::ThreeParticleAverageSite self)

References simtk.openmm.openmm.stripUnits().

Member Function Documentation

def getWeight (   self,
  args 
)

getWeight(ThreeParticleAverageSite 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())

References simtk.openmm.openmm.stripUnits().

Member Data Documentation

this

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