ThreeParticleAverageSite¶

class
OpenMM::
ThreeParticleAverageSite
¶ 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.Methods
ThreeParticleAverageSite
Create a new ThreeParticleAverageSite
virtual site.getWeight
Get the weight factor used for a particle this virtual site depends on. 
ThreeParticleAverageSite
(int particle1, int particle2, int particle3, double weight1, double weight2, double weight3)¶ Create a new
ThreeParticleAverageSite()
virtual site. Normally the weights 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
 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

double
getWeight
(int particle) const¶ Get the weight factor used for a particle this virtual site depends on.
Parameters:  particle – the particle to get (between 0 and
getNumParticles()
)
Returns: the weight factor used for that particle  particle – the particle to get (between 0 and
