TwoParticleAverageSite Class Reference
This is a VirtualSite that computes the particle location as a weighted average of two other particle's locations. More...
Public Member Functions | |
| def | getWeight |
| getWeight(self, int particle) -> double | |
| def | __init__ |
| __init__(self, int particle1, int particle2, double weight1, double weight2) -> TwoParticleAverageSite __init__(self, TwoParticleAverageSite other) -> TwoParticleAverageSite | |
| def | __del__ |
| __del__(self) | |
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.
Member Function Documentation
| def __del__ | ( | self | ) |
__del__(self)
Reimplemented from VirtualSite.
| def __init__ | ( | self, | ||
| args | ||||
| ) |
__init__(self, int particle1, int particle2, double weight1, double weight2) -> TwoParticleAverageSite __init__(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
| 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
