OpenMM
OutOfPlaneSite Class Reference

This is a VirtualSite that computes the particle location based on three other particles' locations. More...

Inheritance diagram for OutOfPlaneSite:

## Public Member Functions

def getWeight12
getWeight12(OutOfPlaneSite self) -> double More...

def getWeight13
getWeight13(OutOfPlaneSite self) -> double More...

def getWeightCross
getWeightCross(OutOfPlaneSite self) -> double More...

def __init__
init(OpenMM::OutOfPlaneSite self, int particle1, int particle2, int particle3, double weight12, double weight13, double weightCross) -> OutOfPlaneSite init(OpenMM::OutOfPlaneSite self, OutOfPlaneSite other) -> OutOfPlaneSite More...

def __del__
del(OpenMM::OutOfPlaneSite 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...

this

## Detailed Description

This is a VirtualSite that computes the particle location based on three other particles' locations.

If r1 is the location of particle 1, r12 is the vector from particle 1 to particle 2, and r13 is the vector from particle 1 to particle 3, then the virtual site location is given by

r1 + w12r12 + w13r13 + wcross(r12 x r13)

The three weight factors are user-specified. This allows the virtual site location to be out of the plane of the three particles.

## Constructor & Destructor Documentation

 def __init__ ( self, args )

init(OpenMM::OutOfPlaneSite self, int particle1, int particle2, int particle3, double weight12, double weight13, double weightCross) -> OutOfPlaneSite init(OpenMM::OutOfPlaneSite self, OutOfPlaneSite other) -> OutOfPlaneSite

Create a new OutOfPlaneSite virtual site.

Parameters
 particle1 the index of the first particle particle2 the index of the second particle particle3 the index of the third particle weight12 the weight factor for the vector from particle1 to particle2 weight13 the weight factor for the vector from particle1 to particle3 weightCross the weight factor for the cross product

References simtk.openmm.openmm.stripUnits().

 def __del__ ( self )

del(OpenMM::OutOfPlaneSite self)

References simtk.openmm.openmm.stripUnits().

## Member Function Documentation

 def getWeight12 ( self )

getWeight12(OutOfPlaneSite self) -> double

Get the weight factor for the vector from particle1 to particle2.

References simtk.openmm.openmm.stripUnits().

 def getWeight13 ( self )

getWeight13(OutOfPlaneSite self) -> double

Get the weight factor for the vector from particle1 to particle3.

References simtk.openmm.openmm.stripUnits().

 def getWeightCross ( self )

getWeightCross(OutOfPlaneSite self) -> double

Get the weight factor for the cross product.

References simtk.openmm.openmm.stripUnits().

## Member Data Documentation

 this

Referenced by System.__init__().

The documentation for this class was generated from the following file:
• openmm.py