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

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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.

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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

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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

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Member Data Documentation

this

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

• openmm.py