ParticleSystemGridPBC¶

class samson.Simulation.NeighborSearch.ParticleSystemGridPBC(self: samson.Simulation.NeighborSearch.ParticleSystemGridPBC, particleSystem: samson.Modeling.DynamicalModel.ParticleSystem, cutoffDistance: samson.DataModel.Quantity.unitsSI) → None¶

Bases: samson.Simulation.NeighborSearch.ParticleSystemPBC

This class describes a grid-based neighbor search algorithm that can be applied to particle systems with periodic boundary conditions.

SAMSON API: SBSNeighborSearchParticleSystemGridPBC

getMemoryFootprint(self: samson.Core.Reference.ReferenceTarget) → int¶

Returns the memory footprint

getNeighborIndexer(self: samson.Simulation.NeighborSearch.ParticleSystemPBC, i: int) → samson.DataModel.DataGraph.NodeIndexer¶

Returns indexer of all structural particles which are neighbors for i-th particle

getNeighbors(*args, **kwargs)¶

Overloaded function.

  1. getNeighbors(self: samson.Simulation.NeighborSearch.ParticleSystemGridPBC, position: samson.DataModel.Type.vector3, radius: samson.DataModel.Quantity.unitsSI) -> samson.DataModel.DataGraph.NodeIndexer

Returns indexer of all structural particles that are at a distance smaller than or equal to radius from the specified position

  1. getNeighbors(self: samson.Simulation.NeighborSearch.ParticleSystemGridPBC, box: samson.DataModel.Type.intervalVector3) -> samson.DataModel.DataGraph.NodeIndexer

Returns indexer of all structural particles inside the box

initializeNeighborLists(self: samson.Simulation.NeighborSearch.ParticleSystemGridPBC) → None¶
sprint(self: samson.Simulation.NeighborSearch.ParticleSystemGridPBC, offset: int=0) → None¶

Prints some debugging information

updateNeighborLists(self: samson.Simulation.NeighborSearch.ParticleSystemGridPBC) → None¶