interface for defining the action performed when processing a pair More...
#include <ParticlePairsHandler.h>
Public Member Functions | |
| ParticlePairsHandler () | |
| Constructor. | |
| virtual | ~ParticlePairsHandler () |
| Destructor. | |
| virtual void | init ()=0 |
| things to be done before particle pairs are processed More... | |
| virtual void | finish ()=0 |
| things to be done after particle pairs are processed More... | |
| virtual double | processPair (Molecule &particle1, Molecule &particle2, double distanceVector[3], PairType pairType, double dd, bool calculateLJ)=0 |
| things to be done for each particle pair More... | |
Detailed Description
interface for defining the action performed when processing a pair
The idea of a ParticleContainer is, that the container itself only knows about how to efficiently store and access Particles (or neighbouring pairs of Particles) It doesn't know anything (exception follows) about the internal structure of a Particle, or what action should be performed for a pair of particles (an action could e.g. be to calculate the force). The only thing that has to be known from a particle is it's position.
An application e.g. wants to find all neighbouring particle pairs and calculate the forces between them. The retrieval of the pairs has to be done by the ParticleContainer, but the force calculation has to be performed somewhere else. That's where this interface comes into play. There are typically three things to be done:
- Do some initial stuff before the pair processing
- Do something for each pair
- Do something after all pairs have been processed
The ParticleContainer has an instance of a class implementing this interface as a member variable. When the method of the ParticleContainer that traverses the pairs is called, it first has to call the method "init()" of it's ParticlePairsHandler, then for each pair "processPair(...)" and at the end "finish()". A class implementing this interface now serves as an adapter between the particleContainer an some other part of the programm (e.g. force calculation)
Member Function Documentation
◆ finish()
|
pure virtual |
things to be done after particle pairs are processed
Implemented in ParticlePairs2LoadCalcAdapter, and ParticlePairs2PotForceAdapter.
◆ init()
|
pure virtual |
things to be done before particle pairs are processed
Implemented in ParticlePairs2LoadCalcAdapter, and ParticlePairs2PotForceAdapter.
◆ processPair()
|
pure virtual |
things to be done for each particle pair
- Parameters
-
particle1 first particle particle2 second particle distanceVector[3] distance between the two particles pairType describes whether the pair is a original pair(0) or a duplicated pair(1) for details about pair types see comments on traversePairs() in ParticleContainer
Implemented in ParticlePairs2PotForceAdapter, and ParticlePairs2LoadCalcAdapter.
The documentation for this class was generated from the following file:
- src/particleContainer/handlerInterfaces/ParticlePairsHandler.h
