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 More...
def	__init__
	init(OpenMM::TwoParticleAverageSite self, int particle1, int particle2, double weight1, double weight2) -> TwoParticleAverageSite init(OpenMM::TwoParticleAverageSite self, TwoParticleAverageSite other) -> TwoParticleAverageSite More...
def	__del__
	del(OpenMM::TwoParticleAverageSite 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 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

particle1	the index of the first particle
particle2	the index of the second particle
weight1	the weight factor (between 0 and 1) for the first particle
weight2	the weight factor (between 0 and 1) for the second particle

References simtk.openmm.openmm.stripUnits().

def __del__

(

self

)

del(OpenMM::TwoParticleAverageSite self)

References simtk.openmm.openmm.stripUnits().

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

particle

the particle to get (between 0 and getNumParticles())

References simtk.openmm.openmm.stripUnits().

Member Data Documentation

this

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

• openmm.py