ThreeParticleAverageSite Class Reference
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(self, int particle) -> double | |
| def | __init__ |
| __init__(self, int particle1, int particle2, int particle3, double weight1, double weight2, double weight3) -> ThreeParticleAverageSite __init__(self, ThreeParticleAverageSite other) -> ThreeParticleAverageSite | |
| def | __del__ |
| __del__(self) | |
Public Attributes | |
| this | |
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.
Member Function Documentation
| def __del__ | ( | self | ) |
__del__(self)
Reimplemented from VirtualSite.
| def __init__ | ( | self, | ||
| args | ||||
| ) |
__init__(self, int particle1, int particle2, int particle3, double weight1, double weight2, double weight3) -> ThreeParticleAverageSite __init__(self, ThreeParticleAverageSite other) -> ThreeParticleAverageSite
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
| def getWeight | ( | self, | ||
| args | ||||
| ) |
getWeight(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())
Member Data Documentation
The documentation for this class was generated from the following file:
- openmm.py
