OpenMM

This is a VirtualSite that computes the particle location as a weighted average of three other particle's locations. More...
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  
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.
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.
particle1  the index of the first particle 
particle2  the index of the second particle 
particle3  the index of the third 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 
weight2  the 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().
def getWeight  (  self,  
args  
) 
getWeight(ThreeParticleAverageSite self, int particle) > double
Get the weight factor used for a particle this virtual site depends on.
particle  the particle to get (between 0 and getNumParticles()) 
References simtk.openmm.openmm.stripUnits().
this 